기본 정보
- CAS
80387-97-9- 표준 SMILES
CCCCC(CC)COC(=O)CSCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1- InChIKey
SPDKDTGZSHRXIT-UHFFFAOYSA-N- 분자식
- C25H42O3S
- 평균 분자량
- 422.7 g/mol
- 단동위원소 질량
- 422.2854662
이름 및 식별자
- 우선 이름
- Acetic acid, 2-[[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]thio]-, 2-ethylhexyl ester
- IUPAC
- 2-ethylhexyl 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylsulfanyl]acetate
- 현지명
- 2-에틸헥실[[[3,5-비스(1,1-다이메틸에틸)-4-하이드록시페닐]-메틸]티오]아세테이트
- 영어명
- 2-ethylhexyl [[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]thio]acetate
- 분자식
- C25H42O3S
- 분자량
- 422.66
이름 및 동의어
DTXSID90868570Acetic acid, (((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methyl)thio)-, 2-ethylhexyl esterAcetic acid, [[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]thio]-, 2-ethylhexyl esterAcetic acid, 2-[[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]thio]-, 2-ethylhexyl ester2-ethylhexyl[[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]thio]acetateAcetic acid, 2-(((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methyl)thio)-, 2-ethylhexyl ester2-ethylhexyl(((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methyl)thio)acetateRefChem:552124DTXCID6081666480387-97-9(((3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl)methyl)thio)acetic acid 2-ethylhexyl esterIrganox 1192
이름 더 보기
2-에틸헥실[[[3,5-비스(1,1-다이메틸에틸)-4-하이드록시페닐]-메틸]티오]아세테이트2-에틸헥실[[[3,5-비스(1,1-디메틸에틸)-4-히드록시페닐]메틸]티오]아세테이트2-ETHYLHEXYL ((3,5-DI-TERT-BUTYL-4-HYDROXYBENYL)THIO)ACETATE(3,5-Di-tert-butyl-4-hydroxybenzylthio)acetic acid 2-ethylhexyl ester
물성
구조 계산 물성
- XLogP
- 8.4
- 극성 표면적
- 71.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 453
물리화학적 성질
- 끓는 점
- 509.22 °C · 509.22°C (rough estimate)
- 밀도
- 1.0147 · 1.0147 (rough estimate)
- 굴절률
- 1.546 · 1.5460 (estimate)
- 산도 계수 (pKa)
- 11.92 · 11.92±0.40(Predicted)
- EPA
- 3 · Acetic acid, [[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]thio]-, 2-ethylhexyl ester (80387-97-9)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
P203, P261, P272, P273, P280, P302+P352, P318, P321, P333+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
Danger
H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
P203, P261, P272, P273, P280, P302+P352, P318, P321, P333+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
유해성 정보
Regulatory Information
Chemical: Acetic acid, [[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]thio]-, 2-ethylhexyl ester
Hazard Traits - Reproductive Toxicity
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Other Safety InformationIMAP assessments - CMR chemicals not registered under REACH: Human health tier II assessment
Hazard Classes and Categories
Reproductive toxicity - category 1B
Repr. 1B
안전 데이터
- tsca
- TSCA listed
- risk_code
- 61-43-52/53
- hazard_code
- T
- safety_code
- 53-45-61
화학 및 산업
용도 및 제조
General Manufacturing InformationAcetic acid, 2-[[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]thio]-, 2-ethylhexyl ester: INACTIVE
공급사1 곳
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
관련 반응
1건
화합물 노트
불러오는 중…