Octinoxate is a sunscreen agent found in sunscreens that absorbs UV rays.

Brand Names
Eucerin, Meijer, Sumadan Wash
Generic Name
DrugBank Accession Number

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.

Small Molecule
Approved, Investigational
Average: 290.3972
Monoisotopic: 290.188194698
Chemical Formula
  • ethylhexyl methoxycinnamate
  • ethylhexyl p-methoxycinnamate
  • Octinoxate
  • octyl methoxycinnamate
  • parsol
External IDs
  • Eusolex 2292
  • Uvinul MC80



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

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Associated Conditions
Indication TypeIndicationCombined Product DetailsApproval LevelAge GroupPatient CharacteristicsDose Form
Used in combination to preventSunburn••• •••
Used in combination to preventSunburnCombination Product in combination with: Zinc oxide (DB09321), Titanium dioxide (DB09536)••• ••••••••
Used in combination to preventSunburnCombination Product in combination with: Sulisobenzone (DB11185)••• ••••••••
Contraindications & Blackbox Warnings
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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.


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



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.


Not Available


Not Available

Adverse Effects
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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.

Not Available
Pharmacogenomic Effects/ADRs
Not Available


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.
AbacavirAbacavir 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.
Food Interactions
No interactions found.


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Active Moieties
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
Over the Counter Products
NameDosageStrengthRouteLabellerMarketing StartMarketing EndRegionImage
125 Fl Moisture Whip Lipstick-stk Top 50mg/gStick50 mg / gTopicalMaybelline Canada1996-12-311998-07-11Canada flag
2-Power Fabric SPF 25Cream67 mg/1mLTopicalBPS 602017-12-25Not applicableUS flag
25 Creme 410Cream7.5 %TopicalMultaler & Cie2004-06-012008-03-28Canada flag
275lw Long Wearing Lipstick 50mg/gStick50 mg / gTopicalMaybelline Canada1996-12-311998-07-11Canada flag
4-IN-1 Liquid 14-hour Wear Foundation SPF 15Emulsion5 % w/wTopicalPUR MINERALS2013-02-202017-03-28Canada flag
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
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)KitOphthalmic; 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


ATC Codes
D02BA02 — Octinoxate
Drug Categories
Chemical TaxonomyProvided by Classyfire
This compound belongs to the class of organic compounds known as cinnamic acid esters. These are compound containing an ester derivative of cinnamic acid.
Organic compounds
Super Class
Phenylpropanoids and polyketides
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
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
Affected organisms
Not Available

Chemical Identifiers

CAS number
InChI Key
2-ethylhexyl (2E)-3-(4-methoxyphenyl)prop-2-enoate


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. [Article]
  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. [Article]
  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. [Article]
  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. [Article]
  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. [Article]
  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. [Article]
  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. [Article]
  8. Maipas S, Nicolopoulou-Stamati P: Sun lotion chemicals as endocrine disruptors. Hormones (Athens). 2015 Jan-Mar;14(1):32-46. [Article]
  9. The Dermatology Review: Octinoxate [Link]
Human Metabolome Database
PubChem Compound
PubChem Substance
Download (61 KB)

Clinical Trials

Clinical Trials
4CompletedTreatmentDiabetes Complications1
3Active Not RecruitingTreatmentAcute Promyelocytic Leukemia With t(15;17)(q24.1;q21.2); PML-RARA1
3CompletedBasic ScienceAbsorption; Chemicals / Pharmacokinetics1
3CompletedTreatmentChildhood Acute Promyelocytic Leukemia With PML-RARA / Myeloid Neoplasm1


Not Available
Not Available
Dosage Forms
StickTopical50 mg / g
CreamTopical67 mg/1mL
EmulsionTopical5 % w/w
KitOphthalmic; Respiratory (inhalation); Topical
CreamTopical5 g/100g
StickTopical7.5 %
Emulsion; kitTopical
CreamTopical0.9 g/30mL
CreamTopical45 mg/1mL
CreamTopical65 mg/1mL
StickTopical7 %
PowderTopical2.0 %
LotionTopical0.975 g/15g
LotionTopical5 % w/w
EmulsionTopical7.5 % w/w
CreamTopical3 g / 100 g
LiquidTopical7 % w/w
LotionTopical4.5 %
CreamTopical6.3 % w/w
LotionTopical30 mg / g
GelTopical25 mg/1g
LipstickTopical0.1 g/1g
OintmentTopical5.5 %
SprayTopical10.5 g/150g
CreamTopical5550 mg/75g
CreamTopical7.5 g/100g
CreamTopical0.6 g/12g
StickTopical7.5 % w/w
LotionTopical3 %
CreamTopical3 %
Ointment; stickTopical
Kit; ointment; stickTopical
StickTopical3.50 %
EmulsionTopical2.23 %
Cloth; creamTopical
LotionTopical4 %
CreamTopical70 mg/1mL
LiquidTopical6.0 %
LiquidTopical3.00 %
CreamTopical15 mL/200mL
PowderTopical6 % w/w
LotionTopical3.5 %
Kit; salveTopical
CreamTopical6 mL/100mL
CreamTopical5.49 g/100g
CreamTopical3 g/50g
CreamTopical6 %
EmulsionTopical75 mg/1mL
LipstickTopical5 g/100g
StickTopical306 mg/9g
EmulsionTopical1690 mg/34.48g
CreamTopical1690 mg/34.48g
StickTopical3.4 % w/w
CreamTopical5 %
Gel; kit; lipstick; liquid; lotion; swabTopical
CreamTopical2 mg/1mL
LipstickTopical0.07 g/1g
LiquidTopical3 g/100mL
PowderTopical0.05 g/1g
LiquidTopical6 g/100mL
LotionTopical75 mg/1mL
PasteTopical75 mg/1mL
PowderTopical5.0 % w/w
PowderTopical5 g/100g
LiquidTopical7.5 % w/w
EmulsionTopical74.9 mg/1mL
LotionTopical74.9 mg/1mL
EmulsionTopical7.0 %
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
LiquidTopical5.0 %
EmulsionTopical4 %
Kit; stickTopical
PowderTopical0.06 g/1g
LipstickTopical0.068 g/1g
LipstickTopical0.075 g/1g
OintmentTopical6.5 %
LiquidTopical2.2 %
CreamTopical5.6 %
StickTopical6.5 % w/w
CreamTopical0.6 g/15mL
CreamTopical2 g/50mL
CreamTopical7 %
CreamTopical2 g/40mL
LiquidTopical4 g / 100 g
LotionTopical6.5 %
PowderTopical7.5 g / 100 g
PowderTopical4 %
Cream; kitTopical
PowderTopical7.5 %
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
EmulsionTopical4.9965 mg/100mg
LipstickTopical122.5 mg/3.5g
EmulsionTopical30 mg/1mL
EmulsionTopical3 g/100g
Liquid; lotionTopical
LiquidTopical2.20 mL/100mL
StickTopical2 %
LiquidTopical2.23 %
CreamTopical40 mg/1mL
LotionTopical20 mg/1mL
LiquidTopical50 mg/1mL
EmulsionTopical49.9 mg/1mL
LotionTopical67 mg/1mL
CreamTopical2 %
CreamTopical3 mL/100mL
PowderTopical1.995 g/100g
LotionTopical1 g/100mL
LipstickTopical75 mg/1mL
LipstickTopical74 mg/1mL
CreamTopical2.5 %
SprayTopical3 % w/w
LipstickTopical225 mg/3g
LipstickTopical525 mg/7g
SprayTopical9.75 mL/130mL
LiquidTopical5 %
LiquidTopical2 %
LiquidTopical4 %
CreamTopical2.25 mL/30mL
CreamTopical4 %
CreamTopical0.1 g/1g
LotionTopical2.0 % w/w
CreamTopical1.5 g/30g
CreamTopical1.5 mL/30mL
LotionTopical2275 mg/35mL
StickTopical4 % w/w
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
Kit; lipstickTopical
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
OintmentTopical1.0 %
Kit; ointmentTopical
CreamTopical7.5 g / 100 g
CreamTopical6 mL/30mL
CreamTopical1.8 g/30mL
LiquidTopical32 mg/1mL
LiquidTopical70 mg/1mL
CreamTopical49 mg/1g
CreamTopical60 mg/1mL
CreamTopical60 mg/100mL
EmulsionTopical5.0 % w/w
CreamTopical2.5 % w/w
LiquidTopical3.5 % w/w
LiquidTopical7 mL/100mL
LiquidTopical7 %
LiquidTopical7.5 %
CreamTopical0.525 g/7mL
LotionTopical7.5 %
CreamTopical7.5 % w/w
LotionTopical0.9 g/30g
LotionTopical45 mg/1mL
PowderTopical40 mg/1g
OintmentTopical5 %
PowderTopical0.42 g/14g
CreamTopical10 g/100g
LiquidTopical7.5 mL/100mL
LipstickTopical2.2 mL/100mL
LiquidTopical3 %
StickTopical222 mg/3g
StickTopical10 mg/1g
StickTopical30 mg/1g
LotionTopical2 g/100mL
CreamTopical7.5 g/30g
EmulsionTopical2.25 g/30g
EmulsionTopical1.5 g/30g
CreamTopical1.5 g/100g
Kit; lotionTopical
LotionTopical0.05 g/1mL
LotionTopical7 % w/w
LiquidNot applicable1 L/1L
CreamTopical3.5 g/50mL
StickTopical3.5 % w/w
OilTopical16.8 mg/1mL
OilTopical19.3 mg/1mL
SprayTopical19.8 mg/1mL
OilTopical2 g/100g
CreamTopical11.25 mL/150mL
LotionTopical5.0 %
CreamTopical3.75 g/50mL
LotionTopical6 %
CreamTopical7.5 %
CreamTopical7.49 g/50mL
StickTopical4.9 % w/w
LipstickTopical3.5 g/100g
Cream; kit; lotionTopical
CreamTopical7.5 mL/100mL
StickTopical5 %
PowderTopical2 %
CreamTopical1.3 g/30mL
LiquidTopical4 g/100mL
CreamTopical2.5 g/100mL
PasteTopical7.5 g/100g
LipstickTopical7.5 g/100g
LipstickTopical0.28 g/4g
CreamTopical7.0 %
LotionTopical2.25 g/30mL
SuspensionTopical7.5 %
GelTopical3 g/100mL
CreamTopical4 g/100mL
SuspensionTopical4 %
LipstickTopical20 mg/1mL
CreamTopical6.0 %
EmulsionTopical7.5 %
LotionTopical7.4 %
CreamTopical7.4 %
CreamTopical2036 mg/30mL
CreamTopical1832 mg/30mL
StickTopical196 mg/4g
EmulsionTopical2.30805 g/30mL
EmulsionTopical4.5 %
LipstickTopical196 mg/4g
StickTopical4.996 %
StickTopical4 %
LotionTopical1.125 mL/15mL
LotionTopical2.25 mL/30mL
LiquidTopical60 mg/1mL
Cream; kitTopical60 mg/1mL
LiquidTopical6 %
LotionTopical60 mg/1mL
StickTopical7.0 %
LipstickTopical75 mg/1g
CreamTopical4.5 %
Spray, suspensionTopical
LotionTopical2 % w/w
EmulsionTopical2 %
LiquidTopical2.5 %
GelTopical3.5 mL/100mL
PasteTopical67.4 mg/1g
LipstickTopical67.4 mg/1g
LiquidTopical1.95 g/30mL
StickTopical3.5 %
LotionTopical2.5 %
LotionTopical5.5 %
Liquid; sprayTopical
EmulsionTopical7.5 g/141.7g
LiquidTopical1 %
SprayTopical5 g/100g
SprayTopical16.7 mg/1mL
Kit; liquidTopical
GelTopical0.075 g/1g
StickTopical3 %
Lotion; sprayTopical
LotionTopical6 g/100mL
EmulsionTopical3 %
EmulsionTopical5 %
LotionTopical3 % w/w
CreamTopical30 mg/1mL
CreamTopical3.0 %
LotionTopical7.50 %
CreamTopical4 % w/w
LiquidTopical25 mg/1mL
PowderTopical25 mg/1mL
CreamTopical3 g/100mL
Cream, augmentedTopical
CreamTopical0.36 g/7.2g
PowderTopical5 %
PowderTopical5.2 %
CreamTopical68 mg/1mL
CreamTopical2.0 mL/100mL
LipstickTopical7.0 g/100g
PowderTopical7.5 % w/w
CreamTopical6.3 g/100g
LotionTopical5 g/100g
LotionTopical7 g/100g
LiquidTopical5 g / 100 g
LipstickTopical210 mg/3g
StickTopical7.0 % w/w
LipstickTopical0.225 g/3g
CreamTopical4.995 %
LotionTopical4.995 %
Aerosol, foamTopical
Aerosol, sprayTopical
LiquidTopical0.075 g/1mL
LiquidTopical0.075 mL/1mL
LotionTopical2 %
LotionTopical1.25 %
Cream; liquidTopical
LiquidTopical5.4 mL/100mL
LotionTopical6.0 %
CreamTopical4.0 %
LotionTopical5 %
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
Not Available
Not Available


Experimental Properties
melting point (°C)-25°CMSDS
boiling point (°C)185-195°C at 1mbarMSDS
water solubility<0.1 g/100 mL at 27°CA19210
Predicted Properties
Water Solubility0.000452 mg/mLALOGPS
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
Rule of FiveNoChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available


Mass Spec (NIST)
Not Available
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-06vi-9530000000-dfb5bc7b1b0717378513
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-06rl-9450000000-a2316564fac96104d4d0
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-056r-1900000000-17f16f056e75a81acf44
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0aos-3920000000-d87f9902d1f0e82fe279
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-001l-7950000000-8be926042ec734955b2f
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-059x-9500000000-49f237a7bafe4d1528f2
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-1910000000-0763ebe4c2f0651199b2
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
DarkChem Lite v0.1.0
DeepCCS 1.0 (2019)
DarkChem Lite v0.1.0
DeepCCS 1.0 (2019)
DarkChem Lite v0.1.0
DeepCCS 1.0 (2019)

Drug created at November 30, 2015 19:10 / Updated at April 12, 2024 17:11