Octisalate

Identification

Brand Names

Eucerin, Meijer, Sumadan Wash

Generic Name

Octisalate

DrugBank Accession Number

DB11062

Background

Also known as Ethylhexyl Salicylate. Octyl salicylate is an oil soluble chemical sunscreen agent that absorbs UVB radiation. It does not protect against UVA. Octyl salicylate is used to augment the UVB protection in a sunscreen. Salicylates are weak UVB absorbers and they are generally used in combination with other UV filters. Octyl salicylate appears to have a good safety profile. It covers wavelength in the range 295-315 nm, peak at 307-310 nm.

It is an ester of salicylic acid and 2-ethylhexanol. The salicylate portion of the molecule absorbs ultraviolet light to protect skin from the harmful effects of exposure to sunlight, while the ethylhexanol portion functions as an emollient.

Type

Small Molecule

Groups

Approved, Investigational

Structure

Similar Structures

Weight: Average: 250.3334
Monoisotopic: 250.15689457
Chemical Formula: C₁₅H₂₂O₃

Synonyms

2-Ethylhexyl 2-hydroxybenzoate
2-Ethylhexyl salicylate
Octisalate
Octyl salicylate

External IDs

USAF DO-11

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Pharmacology

Indication

Ingredient in sunscreens for protection against damage effects of sun light, provides protection from sunburns, aging and skin cancer.

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Associated Conditions

Indication Type	Indication	Combined Product Details	Approval Level	Age Group	Patient Characteristics	Dose Form
Used in combination for prophylaxis of	Sunburn		••• •••

Contraindications & Blackbox Warnings

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Pharmacodynamics

Data not found.

Mechanism of action

Chemical sunscreen, it acts through absorption of UVB light and not UVA.

Absorption

Intended for local use only, no systemic absorption.

Volume of distribution

Intended for local use only, no systemic absorption.

Protein binding

Intended for local use only, no systemic absorption.

Metabolism

Intended for local use only, no systemic absorption.

Route of elimination

Intended for local use only, no systemic absorption.

Half-life

Intended for local use only, no systemic absorption.

Clearance

Intended for local use only, no systemic absorption.

Adverse Effects

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Toxicity

LD50, (oral, rat): > 5000 mg/Kg. LD50 (dermal, rabbit): > 5000 mg/Kg.

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.
Not Available
Food Interactions: No interactions found.

Products

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dosage, form, labeller, route of administration, and marketing period.

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Active Moieties

Name	Kind	UNII	CAS	InChI Key
Salicylic acid	unknown	O414PZ4LPZ	69-72-7	YGSDEFSMJLZEOE-UHFFFAOYSA-N

Mixture Products

Name	Ingredients	Dosage	Route	Labeller	Marketing Start	Marketing End	Region	Image
(Re)Setting Refreshing Mist SPF 40	Octisalate (4.9 g/100mL) + Avobenzone (2.9 g/100mL) + Homosalate (9.8 g/100mL) + Octocrylene (9.5 g/100mL)	Spray	Topical	Supergoop, LLC	2022-01-05	Not applicable
01 Balancing Foundation SPF 15	Octisalate (2.5 mg/0.5mL) + Octinoxate (3.75 mg/0.5mL) + Titanium dioxide (1.45 mg/0.5mL)	Emulsion	Topical	The Body Shop, Wake Forest	2009-09-06	2017-10-05
02 Balancing Foundation SPF 15	Octisalate (2.5 mg/0.5mL) + Octinoxate (3.75 mg/0.5mL) + Titanium dioxide (1.45 mg/0.5mL)	Emulsion	Topical	The Body Shop, Wake Forest	2009-09-06	2017-10-05
02 Cushion Spf45 Sunscreen	Octisalate (5 g/100mL) + Octinoxate (5 g/100mL) + Octocrylene (2.5 g/100mL) + Titanium dioxide (13.5 g/100mL) + Zinc oxide (8 g/100mL)	Liquid	Topical	COIZ CO LTD	2019-06-30	Not applicable
03 Balancing Foundation SPF 15	Octisalate (2.5 mg/0.5mL) + Octinoxate (3.75 mg/0.5mL) + Titanium dioxide (1.45 mg/0.5mL)	Emulsion	Topical	The Body Shop, Wake Forest	2009-09-06	2017-10-05

Unapproved/Other Products

Name	Ingredients	Dosage	Route	Labeller	Marketing Start	Marketing End	Region	Image
4362 First Aid Kit	Octisalate (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) + Octinoxate (7.5 g/100mL) + Oxybenzone (6 g/100mL) + Polymyxin B sulfate (5000 [iU]/1g) + Povidone-iodine (10 mg/1mL) + Water (98.6 mL/100mL)	Kit	Ophthalmic; Respiratory (inhalation); Topical	Honeywell Safety Products USA, Inc.	2018-09-13	Not applicable
BEYOND THE SHAVE For Men	Octisalate (5 g/100mL) + Allantoin (0.5 g/100mL) + Avobenzone (3.0 g/100mL) + Dimethicone (2.9 g/100mL) + Homosalate (2.5 g/100mL) + Octasulfur (3.0 g/100mL) + Octocrylene (2.7 g/100mL)	Kit	Topical	Rodan & Fields	2017-06-01	Not applicable
by Selected Daily Broad Spectrum Sunscreen	Octisalate (2.0 g/50mL) + Octinoxate (3.5 g/50mL)	Cream	Topical	Garam Of Nature	2021-07-01	Not applicable
CoreTex Professional Outdoor Skin Protection Wallet	Octisalate (5 g/100mL) + Octisalate (5 g/100g) + Octisalate (5 g/100mL) + Avobenzone (1 g/100mL) + Avobenzone (1 g/100g) + Avobenzone (3 g/100mL) + Benzocaine (6 g/100mL) + Diphenhydramine hydrochloride (2 g/100mL) + Ethanol (62.5 mL/100mL) + Homosalate (5 g/100mL) + Homosalate (5 g/100g) + Homosalate (7.5 g/100mL) + Octinoxate (7.5 g/100mL) + Octinoxate (7.5 g/100g) + Octocrylene (2.5 g/100mL) + Oxybenzone (6 g/100mL) + Oxybenzone (6 g/100g) + Oxybenzone (6 g/100mL) + Synthetic camphor (0.1 g/100mL) + Zinc acetate dihydrate (1 g/100mL)	Gel; Kit; Lipstick; Liquid; Lotion; Swab	Topical	CoreTex Products Inc	2019-11-27	Not applicable
CoreTex Professional Outdoor Skin Protection Wallet	Octisalate (5 g/100mL) + Octisalate (5 g/100g) + Octisalate (5 g/100mL) + Avobenzone (1 g/100mL) + Avobenzone (1 g/100g) + Avobenzone (3 g/100mL) + Benzocaine (6 g/100mL) + Diphenhydramine hydrochloride (2 g/100mL) + Ethanol (62.5 mL/100mL) + Homosalate (5 g/100mL) + Homosalate (5 g/100g) + Homosalate (7.5 g/100mL) + Octinoxate (7.5 g/100mL) + Octinoxate (7.5 g/100g) + Octocrylene (2.5 g/100mL) + Oxybenzone (6 g/100mL) + Oxybenzone (6 g/100g) + Oxybenzone (6 g/100mL) + Synthetic camphor (0.1 g/100mL) + Zinc acetate dihydrate (1 g/100mL)	Gel; Kit; Lipstick; Liquid; Lotion; Swab	Topical	CoreTex Products Inc	2019-11-27	Not applicable

Categories

Drug Categories

Classification

Not classified

Affected organisms

Humans and other mammals

Chemical Identifiers

UNII: 4X49Y0596W
CAS number: 118-60-5
InChI Key: FMRHJJZUHUTGKE-UHFFFAOYSA-N
InChI: InChI=1S/C15H22O3/c1-3-5-8-12(4-2)11-18-15(17)13-9-6-7-10-14(13)16/h6-7,9-10,12,16H,3-5,8,11H2,1-2H3
IUPAC Name: 2-ethylhexyl 2-hydroxybenzoate
SMILES: CCCCC(CC)COC(=O)C1=C(O)C=CC=C1

References

General References

product info [Link]
MSDS [Link]

External Links

Human Metabolome Database: HMDB0061839
PubChem Substance: 347911101
ChemSpider: 8061
RxNav: 91327
ChEBI: 88639
ChEMBL: CHEMBL1329203
Wikipedia: Octyl_salicylate

Clinical Trials

Clinical Trials

Phase	Status	Purpose	Conditions	Count
4	Completed	Prevention	Coronavirus Disease 2019 (COVID‑19) / Sports Nutrition	1
4	Completed	Supportive Care	Atrophic Vaginitis / Endometrial Hyperplasia / Pelvic Organ Prolapse (POP)	1
4	Completed	Supportive Care	Skin Irritation	1
4	Completed	Treatment	Acne Prone Skin	1
4	Completed	Treatment	Actinic Keratosis (AK)	1

Pharmacoeconomics

Manufacturers

Not Available

Packagers

Not Available

Dosage Forms

Form	Route	Strength
Kit	Ophthalmic; Respiratory (inhalation); Topical
Gel	Cutaneous
Powder	Topical
Salve	Topical
Liquid; spray	Topical
Oil	Topical
Spray	Cutaneous
Ointment	Topical
Cream; kit; oil; stick	Topical
Kit	Oral; Topical
Kit; ointment; stick	Topical
Cloth; cream	Topical
Cream	Topical
Jelly	Topical
Cream	Cutaneous
Lipstick	Topical
Gel; kit; lotion	Topical
Gel; kit; lipstick; liquid; lotion; swab	Topical
Cream; gel; kit; lotion	Topical
Kit; stick	Topical
Liquid; lotion	Topical
Sponge	Topical
Kit; lipstick	Topical
Cream, augmented	Topical
Lotion / shampoo	Topical
Paste	Topical
Liquid	Topical
Solution	Topical
Cream; kit	Topical
Stick	Topical
Cream; kit; lotion	Topical
Emulsion	Topical
Kit; lotion	Topical
Cream; kit; liquid; lotion	Topical
Kit; spray	Topical
Lotion	Cutaneous
Jelly; kit	Topical
Aerosol	Topical
Spray, suspension	Topical
Spray	Oral
Kit	Topical
Spray	Topical
Suspension	Topical
Kit; lotion; stick	Topical
Lotion	Oral
Cloth	Topical
Kit; liquid	Topical
Lotion; spray	Topical
Lotion	Topical
Gel; kit	Topical
Gel	Topical
Aerosol, foam	Topical
Aerosol, spray	Topical

Prices

Not Available

Patents

Not Available

Properties

State

Not Available

Experimental Properties

Not Available

Predicted Properties

Property	Value	Source
Water Solubility	0.0238 mg/mL	ALOGPS
logP	4.79	ALOGPS
logP	5.35	Chemaxon
logS	-4	ALOGPS
pKa (Strongest Acidic)	9.72	Chemaxon
pKa (Strongest Basic)	-4.3	Chemaxon
Physiological Charge	0	Chemaxon
Hydrogen Acceptor Count	2	Chemaxon
Hydrogen Donor Count	1	Chemaxon
Polar Surface Area	46.53 Å²	Chemaxon
Rotatable Bond Count	8	Chemaxon
Refractivity	72.21 m³·mol^-1	Chemaxon
Polarizability	28.8 Å³	Chemaxon
Number of Rings	1	Chemaxon
Bioavailability	1	Chemaxon
Rule of Five	No	Chemaxon
Ghose Filter	Yes	Chemaxon
Veber's Rule	No	Chemaxon
MDDR-like Rule	No	Chemaxon

Predicted ADMET Features

Not Available

Spectra

Mass Spec (NIST)

Not Available

Spectra

Spectrum	Spectrum Type	Splash Key
GC-MS Spectrum - EI-B	GC-MS	splash10-00di-9800000000-e6bf91bd63e14169eb92
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	splash10-00di-6910000000-0846696bc11027535246
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0fki-9570000000-968652a69095dcb2f857
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-00lv-9720000000-9faa0988755532e1c1bd
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-00di-7910000000-8dc47a217f89c5a46ab6
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0006-9410000000-3538294908306bb7f495
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0006-9000000000-0775585dc6f50adc16cf
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0ac0-9200000000-ed054258b6c3e0d8613a
Predicted 1H NMR Spectrum	1D NMR	Not Applicable
Predicted 13C NMR Spectrum	1D NMR	Not Applicable

Chromatographic Properties

Collision Cross Sections (CCS)

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	167.3550048	predicted	DarkChem Lite v0.1.0
[M-H]-	160.12541	predicted	DeepCCS 1.0 (2019)
[M+H]+	167.1543048	predicted	DarkChem Lite v0.1.0
[M+H]+	162.48341	predicted	DeepCCS 1.0 (2019)
[M+Na]+	167.1345048	predicted	DarkChem Lite v0.1.0
[M+Na]+	170.01018	predicted	DeepCCS 1.0 (2019)

Drug created at December 03, 2015 16:51 / Updated at February 21, 2021 18:52