Octinoxate

Identification

Name
Octinoxate
Accession Number
DB09496
Description

Octinoxate is a cinnamate ester and common ingredient in sunscreen and other skin care products to minimize DNA photodamage. It was originally developed in 1950's as an organic UV-B filter that absorbs UV-B rays from sun. It is often combined with nanoparticles or other water-resistant liposomes in formulations to increase the localization at the epidermis and decrease the risk of percutaneous absorption. Its use in pharmaceutical and cosmetic formulations is approved by FDA.

Type
Small Molecule
Groups
Approved, Investigational
Structure
Thumb
Weight
Average: 290.3972
Monoisotopic: 290.188194698
Chemical Formula
C18H26O3
Synonyms
  • ethylhexyl methoxycinnamate
  • ethylhexyl p-methoxycinnamate
  • Octinoxate
  • octyl methoxycinnamate
  • parsol
External IDs
  • Eusolex 2292
  • Uvinul MC80

Pharmacology

Indication

As an active ingredient in sunscreens and lip balms. Used for protection against damaging effects of sun rays.

Associated Conditions
Contraindications & Blackbox Warnings
Learn about our commercial Contraindications & Blackbox Warnings data.
Learn More
Pharmacodynamics

Acts as a photoprotective agent that protects the skin by preventing and minimizing the damaging effects of ultraviolet (UV) rays of natural light. The cellular effects of UV irradiation include DNA damage, cell cycle arrest, immunological depression, apoptosis, and transcriptional changes 7.

Mechanism of action

Absorbs UV-B (predominantly) and UV-A rays while accumulating in the outermost layer of the epidermis. Like any other photoprotective agents, octinoxate prevents the damage to cells and deoxyribonucleic acid (DNA) by reducing the p53 protein expression following UV exposure 7 and also increases the skin's tolerability to UV rays 6.

Absorption

Can be systemically absorbed after skin application, being found in the deeper layers of the stratum corneum as well as urine, plasma, and breast milk 2. The mean maximum plasma concentration detected after application of 2mg/cm2 sunscreen was 7ng/mL in women and 16ng/mL in men 6.

Volume of distribution
Not Available
Protein binding

None

Metabolism

Can undergo hepatic metabolism when systematically absorbed. Can be enzymatically degraded by lipases in the stratum corneum where esters undergo hydrolysis 2. Degrade into photoproducts when exposed to sunlight, which leads to a decrease in UV absorption efficiency 6.

Route of elimination

Can be detected in urine in unchanged form 4.

Half-life
Not Available
Clearance
Not Available
Adverse Effects
Learn about our commercial Adverse Effects data.
Learn More
Toxicity

Slightly hazardous in case of skin contact, eye contact, ingestion and inhalation. Octinoxate may form reactive singlet oxygen species and induce anti-estrogenic effects 8. UV-induced molecular breakdown of octinoxate may interfere with cellular processes or induce oxidative damage in human skin 6. The NOAEL (no observed adverse effect level) is 450 mg/kg bw/day for fertility and reproductive performance, for systemic parental and developmental toxicity in Wistar rats 3.

Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
DrugInteraction
AbacavirAbacavir may decrease the excretion rate of Octinoxate which could result in a higher serum level.
AcarboseAcarbose may decrease the excretion rate of Octinoxate which could result in a higher serum level.
AceclofenacAceclofenac may decrease the excretion rate of Octinoxate which could result in a higher serum level.
AcemetacinAcemetacin may decrease the excretion rate of Octinoxate which could result in a higher serum level.
AcetaminophenAcetaminophen may decrease the excretion rate of Octinoxate which could result in a higher serum level.
AcetazolamideAcetazolamide may increase the excretion rate of Octinoxate which could result in a lower serum level and potentially a reduction in efficacy.
Acetylsalicylic acidAcetylsalicylic acid may decrease the excretion rate of Octinoxate which could result in a higher serum level.
AclidiniumAclidinium may decrease the excretion rate of Octinoxate which could result in a higher serum level.
AcrivastineAcrivastine may decrease the excretion rate of Octinoxate which could result in a higher serum level.
AcyclovirAcyclovir may decrease the excretion rate of Octinoxate which could result in a higher serum level.
Additional Data Available
  • Extended Description
    Extended Description

    Extended description of the mechanism of action and particular properties of each drug interaction.

    Learn more
  • Severity
    Severity

    A severity rating for each drug interaction, from minor to major.

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  • Evidence Level
    Evidence Level

    A rating for the strength of the evidence supporting each drug interaction.

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  • Action
    Action

    An effect category for each drug interaction. Know how this interaction affects the subject drug.

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Food Interactions
No interactions found.

Products

Active Moieties
NameKindUNIICASInChI Key
2-Ethylhexyl 4-phenylbenzophenone-2'-carboxylateunknown93NOD9WBCS75005-95-7TWAOKHHZKFMFMD-UHFFFAOYSA-N
Brand Name Prescription Products
NameDosageStrengthRouteLabellerMarketing StartMarketing EndRegionImage
No7 Protect and Perfect Foundation Sunscreen Broad Spectrum SPF 15 CalicoEmulsion1.5 g/30gTopicalBoots Retail Usa Inc2012-10-26Not applicableUS flag
Additional Data Available
  • Application Number
    Application Number

    A unique ID assigned by the FDA when a product is submitted for approval by the labeller.

    Learn more
  • Product Code
    Product Code

    A governmentally-recognized ID which uniquely identifies the product within its regulatory market.

    Learn more
Over the Counter Products
NameDosageStrengthRouteLabellerMarketing StartMarketing EndRegionImage
125 Fl Moisture Whip Lipstick-stk Top 50mg/gStickTopicalMaybelline Canada1996-12-311998-07-11Canada flag
2-Power Fabric SPF 25Cream67 mg/1mLTopicalBPS 602017-12-25Not applicableUS flag
25 Creme 410CreamTopicalMultaler & Cie2004-06-012008-03-28Canada flag
275lw Long Wearing Lipstick 50mg/gStickTopicalMaybelline Canada1996-12-311998-07-11Canada flag
4-IN-1 Liquid 14-hour Wear Foundation SPF 15EmulsionTopicalPUR MINERALS2013-02-202017-03-28Canada flag
6 Creme 410CreamTopicalMultaler & Cie2004-12-012008-06-25Canada flag
6 Creme 410 TeinteeCream5 g/100gTopicalMULTALER & CIE S.A.S2011-02-152017-05-11US flag
6 Creme 410 TeinteeCreamTopicalMultaler & Cie2004-12-032013-07-31Canada flag
6 Lait SolaireLotionTopicalMultaler & Cie2004-12-012013-07-31Canada flag
675rl Revitalizing Lip Indulgence - Stk 7.5%StickTopicalMaybelline Canada1996-12-311999-07-30Canada flag
Additional Data Available
  • Application Number
    Application Number

    A unique ID assigned by the FDA when a product is submitted for approval by the labeller.

    Learn more
  • Product Code
    Product Code

    A governmentally-recognized ID which uniquely identifies the product within its regulatory market.

    Learn more
Mixture Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
01 Balancing Foundation SPF 15Octinoxate (3.75 mg/0.5mL) + Octisalate (2.5 mg/0.5mL) + Titanium dioxide (1.45 mg/0.5mL)EmulsionTopicalThe Body Shop, Wake Forest2009-09-062017-10-05US flag
01 Moisture Foundation SPF 15Octinoxate (3.75 mg/0.5mL) + Zinc oxide (3.9 mg/0.5mL)EmulsionTopicalThe Body Shop, Wake Forest2009-09-06Not applicableUS flag
02 Balancing Foundation SPF 15Octinoxate (3.75 mg/0.5mL) + Octisalate (2.5 mg/0.5mL) + Titanium dioxide (1.45 mg/0.5mL)EmulsionTopicalThe Body Shop, Wake Forest2009-09-062017-10-05US flag
02 Cushion Spf45 SunscreenOctinoxate (5 g/100mL) + Octisalate (5 g/100mL) + Octocrylene (2.5 g/100mL) + Titanium dioxide (13.5 g/100mL) + Zinc oxide (8 g/100mL)LiquidTopicalCOIZ CO LTD2019-06-30Not applicableUS flag
02 Moisture Foundation SPF 15Octinoxate (3.75 mg/0.5mL) + Zinc oxide (3.9 mg/0.5mL)EmulsionTopicalThe Body Shop, Wake Forest2009-09-06Not applicableUS flag
03 Balancing Foundation SPF 15Octinoxate (3.75 mg/0.5mL) + Octisalate (2.5 mg/0.5mL) + Titanium dioxide (1.45 mg/0.5mL)EmulsionTopicalThe Body Shop, Wake Forest2009-09-062017-10-05US flag
03 Moisture Foundation SPF 15Octinoxate (3.75 mg/0.5mL) + Zinc oxide (3.9 mg/0.5mL)EmulsionTopicalThe Body Shop, Wake Forest2009-09-06Not applicableUS flag
04 Balancing Foundation SPF 15Octinoxate (3.75 mg/0.5mL) + Octisalate (2.5 mg/0.5mL) + Titanium dioxide (1.45 mg/0.5mL)EmulsionTopicalThe Body Shop, Wake Forest2009-09-062017-10-05US flag
04 Moisture Foundation SPF 15Octinoxate (3.75 mg/0.5mL) + Zinc oxide (3.9 mg/0.5mL)EmulsionTopicalThe Body Shop, Wake Forest2009-09-06Not applicableUS flag
05 Balancing Foundation SPF 15Octinoxate (3.75 mg/0.5mL) + Octisalate (2.5 mg/0.5mL) + Titanium dioxide (1.45 mg/0.5mL)EmulsionTopicalThe Body Shop, Wake Forest2009-09-062017-10-05US flag
Unapproved/Other Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
4362 First Aid KitOctinoxate (7.5 g/100mL) + Ammonia (0.045 g/0.3mL) + Avobenzone (1 g/100mL) + Bacitracin zinc (400 [iU]/1g) + Benzalkonium chloride (1.3 mg/1mL) + Ethanol (0.5 mL/1mL) + Homosalate (5 g/100mL) + Hydrocortisone acetate (1 g/100g) + Isopropyl alcohol (0.7 mL/1mL) + Lidocaine hydrochloride (20 mg/1mL) + Neomycin sulfate (3.5 mg/1g) + Octisalate (5 g/100mL) + Oxybenzone (6 g/100mL) + Polymyxin B sulfate (5000 [iU]/1g) + Povidone-iodine (10 mg/1mL) + Water (98.6 mL/100mL)Ophthalmic; Respiratory (inhalation); TopicalHoneywell Safety Products USA, Inc.2018-09-13Not applicableUS flag
Abalone Crystaldouble EX BbOctinoxate (2 g/100mL) + Adenosine (0.04 g/100mL) + Nicotinamide (2 g/100mL) + Octocrylene (3 g/100mL) + Titanium dioxide (9.9 g/100mL)CreamTopicalC&bcosmetic Co.,ltd.2017-03-10Not applicableUS flag
Abalone Crystaldouble EX CcOctinoxate (7 g/100mL) + Adenosine (0.04 g/100mL) + Nicotinamide (2 g/100mL) + Titanium dioxide (4.694 g/100mL)CreamTopicalC&bcosmetic Co.,ltd.2017-03-10Not applicableUS flag
AHC Premium Intense Contour BalmOctinoxate (1.5 g/50mL) + Adenosine (0.02 g/50mL) + Aluminium tristearate (0.04 g/50mL) + Aluminum hydroxide (0.45 g/50mL) + Arbutin (1 g/50mL) + Methicone (20 CST) (1.3 g/50mL) + Talc (2.05 g/50mL) + Titanium dioxide (3.96 g/50mL) + Zinc oxide (0.96 g/50mL)CreamTopicalCarver Korea Co.,Ltd.2014-01-152017-11-22US flag
Alphaquin HPOctinoxate (75 mg/1g) + Hydroquinone (40 mg/1g) + Oxybenzone (50 mg/1g)CreamTopicalStratus Pharmaceuticals1993-01-012017-02-01US flag
Condition and Enhance System Full-size Non-surgicalOctinoxate (75 mg/1mL) + Hydroquinone (40 mg/1g) + Hydroquinone (40 mg/1g) + Zinc oxide (90 mg/1mL)KitTopicalOMP, INC.2007-08-20Not applicableUS flag
Condition and Enhance System Travel-size Non-surgicalOctinoxate (75 mg/1mL) + Hydroquinone (40 mg/1g) + Hydroquinone (40 mg/1g) + Zinc oxide (90 mg/1mL)KitTopicalOMP, INC.2007-08-20Not applicableUS flag
Condition and Enhance System Travel-size SurgicalOctinoxate (75 mg/1mL) + Hydroquinone (40 mg/1g) + Hydroquinone (40 mg/1g) + Zinc oxide (90 mg/1mL) + Zinc oxide (185 mg/1g)KitTopicalOMP, INC.2007-08-20Not applicableUS flag
Conju Princess UV Sun BlockOctinoxate (0.075 mL/1mL) + Avobenzone (0.03 mL/1mL) + Enzacamene (0.05 mL/1mL) + Titanium dioxide (0.0249 mL/1mL) + Zinc oxide (0.01 mL/1mL)CreamTopicalConju Inc2010-12-18Not applicableUS flag
Conju Princess UV Sun BlockOctinoxate (0.075 mL/1mL) + Avobenzone (0.03 mL/1mL) + Enzacamene (0.05 mL/1mL) + Titanium dioxide (0.0249 mL/1mL) + Zinc oxide (0.01 mL/1mL)CreamTopicalConju Inc2010-12-18Not applicableUS flag

Categories

ATC Codes
D02BA02 — Octinoxate
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as cinnamic acid esters. These are compound containing an ester derivative of cinnamic acid.
Kingdom
Organic compounds
Super Class
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Sub Class
Cinnamic acid esters
Direct Parent
Cinnamic acid esters
Alternative Parents
Styrenes / Phenoxy compounds / Methoxybenzenes / Anisoles / Fatty acid esters / Alkyl aryl ethers / Enoate esters / Monocarboxylic acids and derivatives / Organic oxides / Hydrocarbon derivatives
show 1 more
Substituents
Alkyl aryl ether / Alpha,beta-unsaturated carboxylic ester / Anisole / Aromatic homomonocyclic compound / Benzenoid / Carbonyl group / Carboxylic acid derivative / Carboxylic acid ester / Cinnamic acid ester / Enoate ester
show 13 more
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available

Chemical Identifiers

UNII
4Y5P7MUD51
CAS number
5466-77-3
InChI Key
YBGZDTIWKVFICR-JLHYYAGUSA-N
InChI
InChI=1S/C18H26O3/c1-4-6-7-15(5-2)14-21-18(19)13-10-16-8-11-17(20-3)12-9-16/h8-13,15H,4-7,14H2,1-3H3/b13-10+
IUPAC Name
2-ethylhexyl (2E)-3-(4-methoxyphenyl)prop-2-enoate
SMILES
[H]\C(=C(\[H])C1=CC=C(OC)C=C1)C(=O)OCC(CC)CCCC

References

General References
  1. Monteiro MS, Ozzetti RA, Vergnanini AL, de Brito-Gitirana L, Volpato NM, de Freitas ZM, Ricci-Junior E, dos Santos EP: Evaluation of octyl p-methoxycinnamate included in liposomes and cyclodextrins in anti-solar preparations: preparations, characterizations and in vitro penetration studies. Int J Nanomedicine. 2012;7:3045-58. doi: 10.2147/IJN.S28550. Epub 2012 Jun 20. [PubMed:22787399]
  2. Mota Ade C, de Freitas ZM, Ricci Junior E, Dellamora-Ortiz GM, Santos-Oliveira R, Ozzetti RA, Vergnanini AL, Ribeiro VL, Silva RS, dos Santos EP: In vivo and in vitro evaluation of octyl methoxycinnamate liposomes. Int J Nanomedicine. 2013;8:4689-701. doi: 10.2147/IJN.S51383. Epub 2013 Dec 10. [PubMed:24376350]
  3. Schneider S, Deckardt K, Hellwig J, Kuttler K, Mellert W, Schulte S, van Ravenzwaay B: Octyl methoxycinnamate: two generation reproduction toxicity in Wistar rats by dietary administration. Food Chem Toxicol. 2005 Jul;43(7):1083-92. [PubMed:15833384]
  4. Janjua NR, Mogensen B, Andersson AM, Petersen JH, Henriksen M, Skakkebaek NE, Wulf HC: Systemic absorption of the sunscreens benzophenone-3, octyl-methoxycinnamate, and 3-(4-methyl-benzylidene) camphor after whole-body topical application and reproductive hormone levels in humans. J Invest Dermatol. 2004 Jul;123(1):57-61. [PubMed:15191542]
  5. Hayden CG, Cross SE, Anderson C, Saunders NA, Roberts MS: Sunscreen penetration of human skin and related keratinocyte toxicity after topical application. Skin Pharmacol Physiol. 2005 Jul-Aug;18(4):170-4. Epub 2005 May 20. [PubMed:15908756]
  6. Latha MS, Martis J, Shobha V, Sham Shinde R, Bangera S, Krishnankutty B, Bellary S, Varughese S, Rao P, Naveen Kumar BR: Sunscreening agents: a review. J Clin Aesthet Dermatol. 2013 Jan;6(1):16-26. [PubMed:23320122]
  7. Duale N, Olsen AK, Christensen T, Butt ST, Brunborg G: Octyl methoxycinnamate modulates gene expression and prevents cyclobutane pyrimidine dimer formation but not oxidative DNA damage in UV-exposed human cell lines. Toxicol Sci. 2010 Apr;114(2):272-84. doi: 10.1093/toxsci/kfq005. Epub 2010 Jan 13. [PubMed:20071424]
  8. Maipas S, Nicolopoulou-Stamati P: Sun lotion chemicals as endocrine disruptors. Hormones (Athens). 2015 Jan-Mar;14(1):32-46. [PubMed:25885102]
  9. The Dermatology Review: Octinoxate [Link]
Human Metabolome Database
HMDB0061861
KEGG Drug
D05225
PubChem Compound
5355130
PubChem Substance
347827864
ChemSpider
4511170
RxNav
13369
ChEBI
88667
ChEMBL
CHEMBL1200608
Wikipedia
Octyl_methoxycinnamate
AHFS Codes
  • 84:80.00 — Sunscreen Agents
MSDS
Download (61 KB)

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
4CompletedTreatmentMelasma1
3Active Not RecruitingTreatmentAcute Promyelocytic Leukemia With PML-RARA / Adult Acute Promyelocytic Leukemia With t(15;17)(q22;q12); PML-RARA / Childhood Acute Promyelocytic Leukemia With t(15;17)(q22;q12); PML-RARA / Untreated Adult Acute Myeloid Leukemia / Untreated Childhood Myeloid Neoplasm1
2CompletedSupportive CareAdvanced Malignant Neoplasm / Dermatologic Complication / Dermatologic Complications / Neoplasms, Malignant1
2Not Yet RecruitingSupportive CareCNS Tumor, Childhood / Pediatric Cancer / Skin Inflammation1
2RecruitingTreatmentAcute Promyelocytic Leukemia With PML-RARA1
2, 3RecruitingTreatmentActinic Cheilitis1
1CompletedOtherSystemic Exposure to Sunscreen Ingredients1
1Not Yet RecruitingBasic ScienceAbsorption; Chemicals / Sunscreening Agents1
1RecruitingTreatmentAccelerated Phase Chronic Myelogenous Leukemia, BCR-ABL1 Positive / Acute Lymphoblastic Leukaemia Recurrent / Acute, recurrent Myeloid Leukemia / Anatomic Stage IV Breast Cancer AJCC v8 / Anemia / Ann Arbor Stage III Hodgkin Lymphoma / Ann Arbor Stage III Non-Hodgkin Lymphoma / Ann Arbor Stage IIIA Hodgkin Lymphoma / Ann Arbor Stage IIIB Hodgkin Lymphoma / Ann Arbor Stage IV Hodgkin Lymphoma / Ann Arbor Stage IV Non-Hodgkin Lymphoma / Ann Arbor Stage IVA Hodgkin Lymphoma / Ann Arbor Stage IVB Hodgkin Lymphoma / Atypical Chronic Myeloid Leukemia, BCR-ABL1 Negative / Blast Phase Chronic Myelogenous Leukemia, BCR-ABL1 Positive / Castration-Resistant Prostate Carcinoma / Chronic Lymphocytic Leukemia (CLL) - Refractory / Chronic Phase Chronic Myelogenous Leukemia, BCR-ABL1 Positive / Chronic, recurrent Lymphocytic Leukemia / Hematopoietic and Lymphoid Cell Neoplasm / Locally Advanced Pancreatic Adenocarcinoma / Metastatic Breast Carcinoma / Metastatic Malignant Solid Neoplasm / Myelodysplastic/Myeloproliferative Neoplasm With Ring Sideroblasts and Thrombocytosis / Myelodysplastic/Myeloproliferative Neoplasm, Unclassifiable / Pancreatic Adenocarcinoma Metastatic / Primary Myelofibrosis / Prognostic Stage IV Breast Cancer AJCC v8 / Recurrent Chronic Myelogenous Leukemia, BCR-ABL1 Positive / Recurrent Hematologic Malignancy / Recurrent Hodgkin Lymphoma / Recurrent Myelodysplastic Syndrome / Recurrent Myelodysplastic/Myeloproliferative Neoplasm / Recurrent Myeloproliferative Neoplasm / Recurrent Non-Hodgkin Lymphoma / Recurrent Plasma Cell Myeloma / Recurrent Small Lymphocytic Lymphoma / Refractory Acute Lymphoblastic Leukemia / Refractory Acute Myelogenous Leukemia (AML) / Refractory Chronic Myelogenous Leukemia, BCR-ABL1 Positive / Refractory Chronic Myelomonocytic Leukemia / Refractory Hematologic Malignancy / Refractory Hodgkin Lymphoma / Refractory Malignant Solid Neoplasm / Refractory Myelodysplastic Syndrome / Refractory Myelodysplastic/Myeloproliferative Neoplasm / Refractory Non-Hodgkin's lymphoma / Refractory Plasma Cell Myeloma / Refractory Primary Myelofibrosis / Refractory Small Lymphocytic Lymphoma / Stage II Pancreatic Cancer AJCC v8 / Stage IIA Pancreatic Cancer AJCC v8 / Stage IIB Pancreatic Cancer AJCC v8 / Stage III Pancreatic Cancer AJCC v8 / Stage IV Pancreatic Cancer AJCC v8 / Stage IV Prostate Cancer AJCC v8 / Stage IVA Prostate Cancer AJCC v8 / Stage IVB Prostate Cancer AJCC v8 / Unresectable Pancreatic Adenocarcinoma1
Not AvailableCompletedNot AvailableType 2 Diabetes Mellitus1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
CreamTopical67 mg/1mL
EmulsionTopical
CreamTopical5 g/100g
CreamTopical0.9 g/30mL
GelCutaneous
CreamTopical65 mg/1mL
SprayCutaneous
LotionTopical0.975 g/15g
SalveTopical
GelTopical25 mg/1g
PatchTopical
OintmentTopical
SprayTopical10.5 g/150g
OintmentTopical
CreamTopical5550 mg/75g
CreamTopical7.5 g/100g
CreamTopical0.6 g/12g
CreamCutaneous
StickTopical7.5 %
Ointment; stickTopical
KitTopical
Cloth; creamTopical
PowderTopical
CreamTopical70 mg/1mL
CreamTopical15 mL/200mL
CreamTopical6 mL/100mL
CreamTopical5.49 g/100g
CreamTopical3 g/50g
StickOral
EmulsionTopical75 mg/1mL
LipstickTopical5 g/100g
StickTopical306 mg/9g
EmulsionTopical1690 mg/34.48g
CreamTopical1690 mg/34.48g
CreamTopical2 mg/1mL
LipstickTopical0.07 g/1g
LiquidTopical3 g/100mL
PowderTopical0.05 g/1g
LiquidTopical6 g/100mL
SprayTopical
LotionTopical75 mg/1mL
PasteTopical75 mg/1mL
PowderTopical5 g/100g
EmulsionTopical74.9 mg/1mL
LotionTopical74.9 mg/1mL
LiquidTopical2.2 mL/100mL
CreamTopical3.75 mg/50mL
OilTopical35 mg/1mL
CreamTopical7.5 g/100mL
LiquidTopical7.5 g/100g
CreamTopical7 g/100g
LipstickTopical0.072 g/1g
LiquidTopical
PowderTopical0.06 g/1g
LipstickTopical0.068 g/1g
LipstickTopical0.075 g/1g
CreamTopical0.6 g/15mL
CreamTopical2 g/50mL
CreamTopical2 g/40mL
EmulsionTopical18.75 mL/250mL
LotionTopical1.1988 mL/30mL
CreamTopical50 mg/1mL
LipstickTopical69 mg/1g
StickTopical68 mg/1g
LipstickTopical68 mg/1g
CreamTopical10 mg/1mL
CreamTopical28 mg/1mL
CreamTopical50 mg/1g
PowderTopical50 mg/1g
AerosolTopical50 mg/1mL
LipstickTopical122.5 mg/3.5g
EmulsionTopical30 mg/1mL
EmulsionTopical3 g/100g
Liquid; lotionTopical
LiquidTopical2.20 mL/100mL
CreamTopical40 mg/1mL
LotionTopical20 mg/1mL
LiquidTopical50 mg/1mL
EmulsionTopical49.9 mg/1mL
LotionTopical67 mg/1mL
StickCutaneous
CreamTopical3 mL/100mL
LipstickTopical75 mg/1mL
LipstickTopical74 mg/1mL
JellyTopical
SprayTopical
LipstickTopical225 mg/3g
LipstickTopical525 mg/7g
CreamTopical
SprayTopical9.75 mL/130mL
CreamTopical
CreamTopical2.25 mL/30mL
CreamTopical1.5 g/30g
CreamTopical1.5 mL/30mL
LotionTopical2275 mg/35mL
OilTopical
CreamTopical3.75 mL/50mL
CreamTopical75 mg/1mL
LiquidTopical30 mg/1mL
LotionTopical50 mg/1mL
LiquidTopical75 mg/1mL
PowderTopical75 mg/1g
StickTopical0.12 g/4g
LotionTopical1.95 g/30mL
CreamTopical35 mg/1mL
CreamTopical3.5 g/100g
LotionTopical35 mg/1mL
LotionTopical3.5 g/100mL
LotionTopical2.1 g/30mL
LiquidTopical0.07 g/1mL
LiquidTopical0.045 g/1g
CreamTopical1.35 g/30g
Lotion / shampooTopical
LotionTopical
SuspensionTopical
CreamTopical6 mL/30mL
CreamTopical1.8 g/30mL
LiquidTopical70 mg/1mL
CreamTopical49 mg/1g
CreamTopical60 mg/1mL
CreamTopical60 mg/100mL
LiquidTopical7 mL/100mL
SolutionTopical
CreamTopical0.525 g/7mL
LipstickTopical
LotionTopical0.9 g/30g
LotionTopical45 mg/1mL
PowderTopical40 mg/1g
PowderTopical0.42 g/14g
CreamTopical10 g/100g
LiquidTopical7.5 mL/100mL
LipstickTopical2.2 mL/100mL
LiquidTopical
StickTopical222 mg/3g
StickTopical10 mg/1g
StickTopical30 mg/1g
LotionTopical2 g/100mL
CreamTopical7.5 g/30g
EmulsionTopical2.25 g/30g
EmulsionTopical
EmulsionTopical1.5 g/30g
Kit; lotionTopical
CreamTopical1.5 g/100g
LotionTopical0.05 g/1mL
LiquidNot applicable1 L/1L
CreamTopical3.5 g/50mL
OilTopical16.8 mg/1mL
OilTopical19.3 mg/1mL
SprayTopical19.8 mg/1mL
OilTopical2 g/100g
LotionCutaneous
CreamTopical11.25 mL/150mL
CreamTopical3.75 g/50mL
LipstickTopical3.5 g/100g
Cream; kitTopical
PowderCutaneous
CreamTopical7.5 mL/100mL
CreamTopical1.3 g/30mL
LiquidTopical4 g/100mL
PasteTopical7.5 g/100g
LipstickTopical7.5 g/100g
LipstickTopical0.28 g/4g
LotionTopical2.25 g/30mL
SuspensionTopical
GelTopical3 g/100mL
CreamTopical4 g/100mL
LipstickTopical20 mg/1mL
CreamTopical2036 mg/30mL
CreamTopical1832 mg/30mL
StickTopical196 mg/4g
LipstickTopical196 mg/4g
StickTopical4.996 %
LotionTopical1.125 mL/15mL
LotionTopical2.25 mL/30mL
LiquidTopical60 mg/1mL
LotionTopical60 mg/1mL
AerosolTopical
LipstickTopical75 mg/1g
Spray, suspensionTopical
SprayOral
PowderTopical
PasteTopical
GelTopical3.5 mL/100mL
PasteTopical67.4 mg/1g
LipstickTopical67.4 mg/1g
LiquidTopical1.95 g/30mL
SpongeTopical
SoapTopical
StickTopical
Liquid; sprayTopical
ClothTopical
SprayTopical16.7 mg/1mL
GelTopical0.075 g/1g
Lotion; sprayTopical
LotionTopical6 g/100mL
CreamTopical30 mg/1mL
LiquidTopical25 mg/1mL
PowderTopical25 mg/1mL
LotionTopical
CreamTopical3 g/100mL
Cream, augmentedTopical
GelTopical
CreamTopical0.36 g/7.2g
CreamTopical68 mg/1mL
CreamTopical2.0 mL/100mL
LipstickTopical7.0 g/100g
CreamTopical6.3 g/100g
LotionTopical5 g/100g
LotionTopical7 g/100g
LipstickTopical210 mg/3g
LipstickTopical0.225 g/3g
StickTopical
Aerosol, foamTopical
Aerosol, sprayTopical
LiquidTopical0.075 g/1mL
LiquidTopical0.075 mL/1mL
Cream; liquidTopical
LiquidTopical5.4 mL/100mL
EmulsionTopical50 mg/1mL
SprayTopical3 g/100g
LiquidTopical40 mg/1mL
LipstickTopical40 mg/1g
LotionTopical3 g/100g
LotionTopical65 mg/1mL
LotionTopical30 mg/1mL
LotionTopical70 mg/1mL
LipstickTopical20 mg/1g
PowderTopical60 mg/1g
CreamTopical74.9 mg/1mL
LotionTopical68 mg/1mL
LotionTopical40 mg/1mL
Prices
Not Available
Patents
Not Available

Properties

State
Liquid
Experimental Properties
PropertyValueSource
melting point (°C)-25°CMSDS
boiling point (°C)185-195°C at 1mbarMSDS
water solubility<0.1 g/100 mL at 27°CA19210
logP5.8MSDS
Predicted Properties
PropertyValueSource
Water Solubility0.000452 mg/mLALOGPS
logP5.62ALOGPS
logP5.38ChemAxon
logS-5.8ALOGPS
pKa (Strongest Basic)-4.8ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area35.53 Å2ChemAxon
Rotatable Bond Count10ChemAxon
Refractivity86.44 m3·mol-1ChemAxon
Polarizability34.84 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveNoChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Drug created on November 30, 2015 12:10 / Updated on September 17, 2020 23:29

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