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

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

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
Steroid hormone activity of flavonoids and related compounds.	2000 Jul	10989984
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 Feb	15864868
Activity related to the carcinogenicity of plastic additives in the benzophenone group.	2006 Jun 1	16780223
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.	2006 Nov	16497524

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

Name

Type

Language

OCTABENZONE

Official Name

English

BENZOPHENONE-12

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

BENZOPHENONE-12 [INCI]

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