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

HCID 21630CAS 5466-77-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCCCC(CC)COC(=O)C=Cc1ccc(OC)cc1
InChIKey: YBGZDTIWKVFICR-UHFFFAOYSA-N
분자식: C18H26O3
평균 분자량: 290.4 g/mol
단동위원소 질량: 290.18819469

개요

Octinoxate is a cinnamate ester.

이름 및 식별자

우선 이름: 2-Propenoic acid, 3-(4-methoxyphenyl)-, 2-ethylhexyl ester
IUPAC: 2-ethylhexyl 3-(4-methoxyphenyl)prop-2-enoate

이름 및 동의어

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

이름 더 보기

AI3-05710SCHEMBL39360orb1310968CHEMBL3183184CHEBI:134750HMS5084E08s5320AKOS028110087

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 5.3
극성 표면적: 35.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 10
무거운 원자 수: 21
형식 전하: 0
복잡도: 304

실험 및 물리화학적 성질

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]

안전 및 규제

GHS 분류

GHS Classification · 3건

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.

유해성 정보

Regulatory Information · 2건

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