OCTISALATE

Details

Stereochemistry	RACEMIC
Molecular Formula	C15H22O3
Molecular Weight	250.3334
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

SMILES

CCCCC(CC)COC(=O)C1=C(O)C=CC=C1

InChI

InChIKey=FMRHJJZUHUTGKE-UHFFFAOYSA-N

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

HIDE SMILES / InChI

Molecular Formula	C15H22O3
Molecular Weight	250.3334
Charge	0
Count	MOL RATIO 1 MOL RATIO (average)

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Description

Octisalate used as an ingredient in sunscreens and cosmetics. Maximum FDA-approved concentration - 5%. Range of protection - UVB. Might develop contact allergic dermatitis

Originator

Approval Year

Conditions

Conditions

Condition	Modality	Targets	Highest Phase	Product
Photosensitivity Disorders 1	Preventing		Approved 8,429	Unknown

C_max

Value	Dose	Co-administered	Analyte	Population
1.3 ng/mL	2 mg/cm² single, transdermal	AVOBENZONE	OCTISALATE plasma	Homo sapiens
5.1 ng/mL	2 mg/cm² 4 times / day multiple, transdermal	AVOBENZONE	OCTISALATE plasma	Homo sapiens
1.4 ng/mL	2 mg/cm² single, transdermal	AVOBENZONE	OCTISALATE plasma	Homo sapiens
5.8 ng/mL	2 mg/cm² 4 times / day multiple, transdermal	AVOBENZONE	OCTISALATE plasma	Homo sapiens
0.7 ng/mL	2 mg/cm² single, transdermal	AVOBENZONE	OCTISALATE plasma	Homo sapiens
4.6 ng/mL	2 mg/cm² 4 times / day multiple, transdermal	AVOBENZONE	OCTISALATE plasma	Homo sapiens

AUC

Value	Dose	Co-administered	Analyte	Population
12 ng × h/mL	2 mg/cm² single, transdermal	AVOBENZONE	OCTISALATE plasma	Homo sapiens
67.9 ng × h/mL	2 mg/cm² 4 times / day multiple, transdermal	AVOBENZONE	OCTISALATE plasma	Homo sapiens
14.7 ng × h/mL	2 mg/cm² single, transdermal	AVOBENZONE	OCTISALATE plasma	Homo sapiens
76.9 ng × h/mL	2 mg/cm² 4 times / day multiple, transdermal	AVOBENZONE	OCTISALATE plasma	Homo sapiens
4.5 ng × h/mL	2 mg/cm² single, transdermal	AVOBENZONE	OCTISALATE plasma	Homo sapiens
54 ng × h/mL	2 mg/cm² 4 times / day multiple, transdermal	AVOBENZONE	OCTISALATE plasma	Homo sapiens

T_1/2

Value	Dose	Co-administered	Analyte	Population
37.4 h	2 mg/cm² single, transdermal	AVOBENZONE	OCTISALATE plasma	Homo sapiens
37.4 h	2 mg/cm² 4 times / day multiple, transdermal	AVOBENZONE	OCTISALATE plasma	Homo sapiens
27.3 h	2 mg/cm² single, transdermal	AVOBENZONE	OCTISALATE plasma	Homo sapiens
27.3 h	2 mg/cm² 4 times / day multiple, transdermal	AVOBENZONE	OCTISALATE plasma	Homo sapiens
77.1 h	2 mg/cm² single, transdermal	AVOBENZONE	OCTISALATE plasma	Homo sapiens
77.1 h	2 mg/cm² 4 times / day multiple, transdermal	AVOBENZONE	OCTISALATE plasma	Homo sapiens

PubMed

Show entries

Title	Date	PubMed
There is no influence of a temperature rise on in vivo adsorption of UV filters into the stratum corneum.	2001 Oct	11532370
Optical spectroscopy of hydrophobic sunscreen molecules adsorbed to dielectric nanospheres.	2004 Jun	15291305
Octyl salicylate: a new contact sensitivity.	2007 Jan	17177714

Showing 1 to 3 of 3 entries

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Patents

Sample Use Guides

In Vivo Use Guide

Apply liberally 15 minutes before sun exposure. Reapply at least every 2 hours

Route of Administration: Topical

In Vitro Use Guide

When applied as a finite dose in an oil-in-water emulsion vehicle containing 5% (w/w) octyl salicylate, the average total absorption of 14C over 48 hr was 0.65+/-0.16% of the applied dose.

Substance Class	Chemical
Record UNII	4X49Y0596W
Record Status	`Validated (UNII)`
Record Version

Show entries

Name

Type

Language

OCTISALATE

Official Name

English

OCTYL SALICYLATE [VANDF]

Common Name

English

ETHYLHEXYL SALICYLATE [INCI]

Common Name

English

NSC-46151

Code

English

Octisalate [WHO-DD]

Common Name

English

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Classification Tree

Code System

Code

EPA PESTICIDE

EPA PESTICIDE CODE

11276

Subpart B--Active Ingredients

CFR

21 CFR 352.20

Chemopreventive Agent

NCI_THESAURUS

C851

Subpart B--Active Ingredients

CFR

21 CFR 352.10

Showing 1 to 4 of 4 entries

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Code System

Code

Type

Description

WIKIPEDIA

OCTYL SALICYLATE

PRIMARY

NSC

46151

PRIMARY

CAS

118-60-5

PRIMARY

RXCUI

91327

PRIMARY

FDA UNII

4X49Y0596W

PRIMARY

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Related Record

Type

Details


					4X49Y0596W

OCTISALATE

ACTIVE MOIETY

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SMILES

InChI

Originator

Approval Year

Conditions

Cmax

AUC

T1/2

PubMed

Patents

Sample Use Guides

C_max

T_1/2