기본 정보
- CAS
88-32-4- 표준 SMILES
COc1ccc(O)cc1C(C)(C)C- InChIKey
IMOYOUMVYICGCA-UHFFFAOYSA-N- 분자식
- C11H16O2
- 평균 분자량
- 180.24 g/mol
- 단동위원소 질량
- 180.11502975
개요
2-tert-butyl-4-hydroxyanisole is an aromatic ether that is 4-methoxyphenol in which one of the hydrogens ortho- to the methoxy group is replaced by a tert-butyl group. It is a member of phenols and an aromatic ether.
이름 및 식별자
- 우선 이름
- 2-tert-Butyl-4-hydroxyanisole
- IUPAC
- 3-tert-butyl-4-methoxyphenol
- 영어명
- 2-tert-Butyl-4-hydroxyanisole
- 분자식
- C11H16O2
- 분자량
- 180.24
이름 및 동의어
88-32-42-tert-Butyl-4-hydroxyanisole3-tert-Butyl-4-methoxyphenolPhenol, 3-(1,1-dimethylethyl)-4-methoxy-2-BHAPhenol, 3-tert-butyl-4-methoxy-A03IJ8ROOPDTXSID7058963CHEBI:76357RefChem:89406Butylated Hydroxyanisole IIDTXCID7048611
이름 더 보기
TBMP4-Methoxy-33-tert-Bha-4-methoxy-4-Methoxy-3-teTBMP (Standard)TBMP, 10 mM in DMSOPhoratoxin B (reduced) 46
201-820-33-(tert-Butyl)-4-methoxyphenol4-Methoxy-3-tert-butylphenolMFCD000576673-tert-butyl-4-methoxy-phenol3-Butyl-4-hydroxyanisoleCCRIS 36062-tert-Butyl-4-hydroxy anisole
데이터베이스 식별자
- CAS
88-32-4- PubChem CID
- 6932
- DTXSID
DTXSID7058963- ChEBI
CHEBI:76357- UNII
- A03IJ8ROOP
- EC Number
- 201-820-3
물성
구조 계산 물성
- XLogP
- 3.2
- 극성 표면적
- 29.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 160
실험 및 물리화학적 성질
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
물리화학적 성질
- 녹는점
- 64 ℃ · 64℃
- 끓는 점
- 253.08 °C · 253.08°C (rough estimate)
- 밀도
- 0.9976 · 0.9976 (rough estimate)
- 굴절률
- 1.4708 · 1.4708 (estimate)
- 저장 조건
- Inert atmosphere,Room Temperature
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- Solid
- 산도 계수 (pKa)
- 10.58 · 10.58±0.18(Predicted)
- 색상
- 미색부터 페일 베이지까지
- 주요 응용
- 소분자 약용
- InChI
- 1S/C11H16O2/c1-11(2,3)9-7-8(12)5-6-10(9)13-4/h5-7,12H,1-4H3
- InChIKey
- IMOYOUMVYICGCA-UHFFFAOYSA-N
- SMILES
- O(C)c1c(cc(cc1)O)C(C)(C)C
- EPA
- 3 · Phenol, 3-(1,1-dimethylethyl)-4-methoxy- (88-32-4)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 1.8% (1 of 57) of reports.
Warning
H302 (98.2%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 57 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Phenol, 3-(1,1-dimethylethyl)-4-methoxy-
Phenol, 3-(1,1-dimethylethyl)-4-methoxy-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationEvaluation - Butylated hydroxyanisole and related antioxidants
Hazard Classes and CategoriesAcute Tox. 4 (98.2%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- HS 번호
- 2909500000
- risk_code
- 22-36
- hazard_code
- Xn
- safety_code
- 26
- Hazard Classifications
- Aquatic Chronic 2
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
Cellular LocationsMembrane
용도 및 제조
General Manufacturing InformationPhenol, 3-(1,1-dimethylethyl)-4-methoxy-: INACTIVE
응용 분야
용도2-tert-Butyl-4-hydroxyanisole shows insecticidal activity.
공급사95 곳
国药集团化学试剂有限公司86-21-63210123 · [email protected]
上海策嵘生物科技有限公司[email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
常州市阿尔捷化工商贸有限公司13813686894 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
관련 반응
4건
화합물 노트
불러오는 중…