OCTABENZONE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H26O3
Molecular Weight	326.4293
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCCCCCCOC1=CC=C(C(=O)C2=CC=CC=C2)C(O)=C1

InChI

InChIKey=QUAMTGJKVDWJEQ-UHFFFAOYSA-N

InChI=1S/C21H26O3/c1-2-3-4-5-6-10-15-24-18-13-14-19(20(22)16-18)21(23)17-11-8-7-9-12-17/h7-9,11-14,16,22H,2-6,10,15H2,1H3

HIDE SMILES / InChI

Molecular Formula	C21H26O3
Molecular Weight	326.4293
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: https://www.cytec.com/sites/default/files/files/UV_531_PSS_12_2012.pdf | https://www.ncbi.nlm.nih.gov/pubmed/23749905 | http://www.thegoodscentscompany.com/data/rw1176521.html

Octabenzone is a UV absorber/screener. It is used to protect polymers (e.g., polyethylene, polypropylene, polyvinylchloride) against damage by UV light.

Originator

Approval Year

Conditions

Condition	Modality	Targets	Highest Phase	Product
Skin cancer 23 Sources: https://www.ncbi.nlm.nih.gov/pubmed/23749905	Preventing		Preclinical	Unknown Approved Use Unknown

PubMed

Title	Date	PubMed
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.	2006-11	16497524
Activity related to the carcinogenicity of plastic additives in the benzophenone group.	2006-06-01	16780223
Feasibility study for the development of certified reference materials for specific migration testing. Part 2: estimation of diffusion parameters and comparison of experimental and predicted data.	2005-02	15864868
Steroid hormone activity of flavonoids and related compounds.	2000-07	10989984

Patents

Sample Use Guides

In Vivo Use Guide

octabenzone was administered at 0.0025% to mice through drinking water ad libitum

Route of Administration: Oral

In Vitro Use Guide

Unknown

Substance Class	Chemical Created by `admin` on `Wed Apr 02 09:30:15 GMT 2025` Edited by `admin` on `Wed Apr 02 09:30:15 GMT 2025`
Record UNII	73P3618V2E
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

BENZOPHENONE-12

Preferred Name

English

OCTABENZONE

Official Name

English

NSC-163400

Code

English

OCTABENZONE [USAN]

Common Name

English

OCTABENZONE [MI]

Common Name

English

OCTABENZONE [HSDB]

Common Name

English

octabenzone [INN]

Common Name

English

METHANONE, (2-HYDROXY-4-(OCTYLOXY)PHENYL)PHENYL-

Systematic Name

English

2-Hydroxy-4-(octyloxy)benzophenone

Systematic Name

English

Code System Code Type Description

MERCK INDEX

m8101