4-t-부틸카테콜
4-tert-Butylcatechol
데이터를 보충하는 중입니다. 잠시 후 페이지를 새로 고치면 최신 내용을 볼 수 있습니다
기본 정보
- CAS
98-29-3- 표준 SMILES
CC(C)(C)c1ccc(O)c(O)c1- InChIKey
XESZUVZBAMCAEJ-UHFFFAOYSA-N- 분자식
- C10H14O2
- 평균 분자량
- 166.22 g/mol
- 단동위원소 질량
- 166.09937969
이름 및 식별자
- 우선 이름
- 4-tert-Butylcatechol
- IUPAC
- 4-tert-butylbenzene-1,2-diol
- 현지명
- 4-t-부틸카테콜
- 영어명
- 4-tert-Butylcatechol
- 분자식
- C10H14O2
- 분자량
- 166.22
이름 및 동의어
4-tert-Butylcatechol98-29-3p-tert-Butylcatecholp-tert-Butyl catecholSynox TBC1,2-Benzenediol, 4-(1,1-dimethylethyl)-4-tert-butyl catecholDTXSID5024687NSC-53109A069144KRDTXCID804687para-tert-butyl catechol
이름 더 보기
4-t-부틸카테콜4-삼차부틸카테콜4-삼차뷰틸카테콜p-tert-뷰틸피로카테콜4-tert-부틸피로카테콜1,2-다이하이드록시-4-tert-뷰틸벤젠4-(1,1-다이메틸에틸)-1,2-벤젠다이올4-tert-뷰틸-1,2-다이하이드록시벤젠4-tert-뷰틸-1,2-벤젠다이올4-tert-뷰틸카테콜5-tert-뷰틸카테콜카테콜, 4-tert-뷰틸-p-tert-부틸카테콜TBC4-tbcPTBC4-TERT-BUTYL-1,2-BENZENEDIOLT-BUTYL CATECHOLP-T-BUTYLCATECHOLp-tert-Butylpyrocatechol
4-tertiary butyl catecholRefChem:858183202-653-94-(tert-butyl)benzene-1,2-diol4-tert-butylbenzene-1,2-diol4-tert-Butylpyrocatechol4-T-BUTYLCATECHOL4-t-Butylpyrocatechol
데이터베이스 식별자
- CAS
98-29-3- PubChem CID
- 7381
- DTXSID
DTXSID5024687- ChEMBL
CHEMBL220845- UNII
- 9A069144KR
- EC Number
- 202-653-9
- Nikkaji
- J21.591K
물성
구조 계산 물성보충 중
- XLogP
- 2.7
- 극성 표면적
- 40.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 148
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Phenols
Density1.0496 @25 °C
Flash Point130 °C
Endocrine DisruptorsPotential endocrine disrupting compound
Boiling Point285 °C @760 [mm Hg]
Melting Point52 °C
Odor ThresholdOdor Threshold = 1.0 mg/l (detection)
Vapor Pressure
0.0028 [mmHg]
0.0028 [mm Hg] @25 °C
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical Description
Liquid; Dry Powder; Liquid; Other Solid; CBI
White solid; [CHEMINFO] White or tan, odorless crystalline solid; [MSDSonline]
Collision Cross Section139.3 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID5024687]
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% (27 of 2665) of reports.
Danger
H302 (87.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P262, P264, P264+P265, P270, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P361+P364, P362+P364, P363, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2665 reports by companies from 36 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
유해성 정보
Regulatory Information
Chemical: 1,2-Benzenediol, 4-(1,1-dimethylethyl)-
1,2-Benzenediol, 4-(1,1-dimethylethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,2-Benzenediol, 4-(1,1-dimethylethyl)- 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: 10-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/13800
4-t-Butylpyrocatechol: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - tert-butyl catechol: Human health tier II assessment
Hazards Summary
Has corrosive effects to skin and eyes; [CHEMINFO] Danger of skin sensitization; [MAK] No mortality occurred in animals exposed to saturated concentrations (3-4 ppm); Cases of skin depigmentation have been reported in workers; [AIHA] A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; Inhalation may cause chemical pneumonitis; Can be absorbed through skin; May cause skin sensitization; [MSDSonline]
Hazard Classes and Categories
화학 및 산업
약리 정보
MeSH Pharmacological ClassificationNaturally occurring or synthetic substances that inhibit or retard oxidation reactions. They counteract the damaging effects of oxidation in animal tissues.
용도 및 제조
UsesUsed to inhibit polymerization of styrene-butadiene and other olefins; [Hawley]
U.S. Production2023: 1,000,000 - <2,500,000 lb
Consumer UsesPigment
Industry UsesChemical reaction regulator
General Manufacturing Information
Printing Ink Manufacturing
1,2-Benzenediol, 4-(1,1-dimethylethyl)-: ACTIVE
응용 분야
개요Para-tertiary butyl catechol is specially prepared by reacting the impure catechol fraction with tertiary butyl alcohol. Used for its various properties (inhibition of polymerization and as an antioxidizing agent) in the manufacture of rubber, plastics and paints, in the preparation of petrolatum products, and as an antioxidant in oils, it may induce vitiligo.
일반 설명4-tert-Butylcatechol,in the presence of O2 catalyzed by tyrosinase, yields 4-tert-butyl-o-benzoquinone. Electrochemical oxidation of 4-tert-Butylcatechol in the presence of 4-hydroxycoumarin as nucleophile has been studied using cyclic voltammetry and controlled-potential coulometry. It undergoes electrochemical trimerization via anodic oxidation and mechanism of trimerization has been studied using cyclic voltammetry and controlled-potential coulometry.
상·하류 제품 정보
상류 원료
관련 반응
68건
화합물 노트
불러오는 중…