2-Propenoic acid, 3-(4-methoxyphenyl)-, 2-ethylhexyl ester

HCID 21630CAS 5466-77-3

部分構造検索類似構造を探す

基本情報

標準SMILES: CCCCC(CC)COC(=O)C=Cc1ccc(OC)cc1
InChIKey: YBGZDTIWKVFICR-UHFFFAOYSA-N
分子式: C18H26O3
平均分子量: 290.4 g/mol
単同位体質量: 290.18819469

概要

Octinoxate is a cinnamate ester.

名称と識別子

優先名称: 2-Propenoic acid, 3-(4-methoxyphenyl)-, 2-ethylhexyl ester
IUPAC: 2-ethylhexyl 3-(4-methoxyphenyl)prop-2-enoate

名称と別名

5466-77-32-ethylhexyl 3-(4-methoxyphenyl)prop-2-enoate2-Ethylhexyl 3-(4-methoxyphenyl)acrylate2-Propenoic acid, 3-(4-methoxyphenyl)-, 2-ethylhexyl ester(E)-Octyl methoxycinnamateAnti AgingStarNSC 26466Octinoxate [USAN:USP:INN]CCRIS 6200HSDB 7459EINECS 226-775-72-ethylhexyl 3-(4-methoxyphenyl)-2-propenoate

名称をさらに表示

AI3-05710SCHEMBL39360orb1310968CHEMBL3183184CHEBI:134750HMS5084E08s5320AKOS028110087

データベース識別子

CAS: 5466-77-3
PubChem CID: 21630
DTXSID: DTXSID1025302
ChEBI: CHEBI:134750
EC Number: 226-775-7

物性

構造計算による物性

XLogP: 5.3
極性表面積: 35.5 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 10
重原子数: 21
形式電荷: 0
複雑度: 304

実験および物理化学的性質

Chemical ClassesUV filter

CosmeticsUv absorber; Uv filter

FragrancesFragrance Ingredient (2-Propenoic acid, 3-(4-methoxyphenyl)-, 2-ethylhexyl ester) -> IFRA transparency List

Endocrine DisruptorsPotential endocrine disrupting compound

Physical DescriptionLiquid

Collision Cross Section184.1 Å² [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID1025302]

安全と法規制

GHS分類

GHS Classification · 3 件

This chemical does not meet GHS hazard criteria for 92.2% (1853 of 2010) of all reports.

Not Classified

Aggregated GHS information provided per 2010 reports by companies from 6 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 2 件

Chemical: 2-Propenoic acid, 3-(4-methoxyphenyl)-, 2-ethylhexyl ester

2-Propenoic acid, 3-(4-methoxyphenyl)-, 2-ethylhexyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propenoic acid, 3-(4-methoxyphenyl)-, 2-ethylhexyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Other Safety InformationIMAP assessments - 2-Propenoic acid, 3-(4-methoxyphenyl)-, 2-ethylhexyl ester: Human health tier II assessment

Hazard Classes and CategoriesNot Classified