기본 정보
- CAS
17540-75-9- 표준 SMILES
CCC(C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1- InChIKey
BFZOTKYPSZSDEV-UHFFFAOYSA-N- 분자식
- C18H30O
- 평균 분자량
- 262.4 g/mol
- 단동위원소 질량
- 262.22966558
이름 및 식별자
- 우선 이름
- 4-sec-Butyl-2,6-di-tert-butylphenol
- IUPAC
- 4-butan-2-yl-2,6-ditert-butylphenol
- 현지명
- 페놀, 2,6-비스(1,1-다이메틸에틸)-4-(1-메틸프로필)-
- 영어명
- 4-sec-Butyl-2,6-di-tert-butylphenol
- 분자식
- C18H30O
- 분자량
- 262.43
이름 및 동의어
4-sec-Butyl-2,6-di-tert-butylphenol2,6-Di-tert-butyl-4-sec-butylphenolPhenol, 2,6-bis(1,1-dimethylethyl)-4-(1-methylpropyl)-Isonox 132Vanox 1320TYL476W27YEINECS 241-533-0NSC 14460NSC-14460ISONOX(R) 132Phenol, 4-sec-butyl-2,6-di-tert-butyl-2,6-di-tertiary-butyl-4-sec-butylphenol
이름 더 보기
페놀,2,6-비스(1,1-다이메틸에틸)-4-(1-메틸프로필)-2,6-다이-tert-뷰틸-4-sec-뷰틸페놀페놀, 2,6-다이-tert-뷰틸-4-sec-뷰틸-페놀, 2,6-비스(1,1-다이메틸에틸)-4-(1-메틸프로필)-페놀, 4-sec-뷰틸-2,6-다이-tert-뷰틸-4-SEC-부틸-2,6-DI-TERT-부틸페놀-2,6-DI-TERT-BUTYL2,6-DI-TERT-BUTYL-4-SEC-BUTYL PHENOL4-sec-Butyl-2,6-di-tert-butylphenol >TIANFU-CHEM 4-SEC-BUTYL-2,6-DI-TERT-BUTYLPHENOL4-sec-Butyl-2,6-di-tert-butylphenol in isooctane
2,6-BIS(1,1-DIMETHYLETHYL)-4-(1-METHYLPROPYL)PHENOLRefChem:526704(+-)-4-SEC-BUTYL-2,6-DI-TERT-BUTYLPHENOL241-533-017540-75-94-(sec-Butyl)-2,6-di-tert-butylphenol4-(Butan-2-yl)-2,6-di-tert-butylphenol4-butan-2-yl-2,6-ditert-butylphenol
데이터베이스 식별자
- CAS
17540-75-9- PubChem CID
- 86583
- DTXSID
DTXSID8029315- ChEMBL
CHEMBL3189073- UNII
- TYL476W27Y
- EC Number
- 241-533-0
- Nikkaji
- J287.077K
물성
구조 계산 물성
- XLogP
- 6.6
- 극성 표면적
- 20.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 257
실험 및 물리화학적 성질
Endocrine DisruptorsPotential endocrine disrupting compound
Food Contact Substances
FCS -> FDA Cumulative Estimated Daily Intake (CEDI)
FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications
Physical DescriptionLiquid
물리화학적 성질
- 녹는점
- 25 °C · 25 °C(lit.)
- 끓는 점
- 141 · 141-142 °C10 mm Hg(lit.)
- 밀도
- 0.902 g/mL · 0.902 g/mL at 25 °C(lit.)
- 증기압
- 0.14 · 0.14-0.29Pa at 20-25℃
- 굴절률
- 1.5006 · 1.5006 (estimate)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- Sealed in dry,Room Temperature
- 물리적 상태
- 액체
- 산도 계수 (pKa)
- 11.85 · 11.85±0.70(Predicted)
- 색상
- White or Colorless to Yellow
- InChI
- 1S/C18H30O/c1-9-12(2)13-10-14(17(3,4)5)16(19)15(11-13)18(6,7)8/h10-12,19H,9H2,1-8H3
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 19.1% (73 of 383) of reports.
Warning
H315 (60.1%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 383 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
유해성 정보
Regulatory Information
Chemical: Phenol, 2,6-bis(1,1-dimethylethyl)-4-(1-methylpropyl)-
Hazard Traits - Bioaccumulation; Environmental Persistence
Phenol, 2,6-bis(1,1-dimethylethyl)-4-(1-methylpropyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 2,6-bis(1,1-dimethylethyl)-4-(1-methylpropyl)- 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)
Status: Active Update: 16-08-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/26745
2,6-Bis(1,1-dimethylethyl)-4-(1-methylpropyl)phenol: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Phenol, 2,6-bis(1,1-dimethylethyl)-4-(1-methylpropyl)-: Human health tier I assessment
Hazard Classes and Categories
Skin Irrit. 2 (60.1%)
Specific target organ toxicity - Repeated exposure - Category 2 (liver, blood coagulation system)
Skin sensitization - Category 1B
안전 데이터
화학 및 산업
용도 및 제조
U.S. Production2023: 1,000,000 - <5,000,000 lb
Industry UsesAntioxidant
General Manufacturing Information
Petrochemical Manufacturing
Phenol, 2,6-bis(1,1-dimethylethyl)-4-(1-methylpropyl)-: ACTIVE
응용 분야
용도A Low Cost, Highly Active, Liquid Stabilizer for Polyols, PVC, Adhesives and Functional Fluids (FDA approved in PVC)
일반 설명Synthesis of 4-sec-butyl-2,6-di-tert-butylphenol from 4-(sec-butyl) phenol and isobutene using sulfuric resin as catalyst, is reported.
상·하류 제품 정보
하류 제품
공급사50 곳
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
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