4-t-부틸카테콜

4-tert-Butylcatechol

HCID 7381CAS 98-29-3
부분 구조 검색유사 구조 찾기

기본 정보

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 물성

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

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

물리화학적 성질

녹는점
52 · 52-55 °C(lit.)
끓는 점
285 °C · 285 °C(lit.)
밀도
1.049 · 1.049
증기압
1 hPa · <1 hPa (25 °C)
굴절률
20 · n20/D 1.508
인화점
230 °F · >230 °F

안전 및 규제

GHS 분류

GHS Classification · 6건

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 · 4건

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 · 1건

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 · 3건

Acute Tox. 4 (87.7%)

Acute toxicity (ingestion) - category 4

Acute toxicity (Dermal) - Category 3

안전 및 보호

Protective Action Criteria (PAC) · 3건

0.18 [mg/m3]

2.0 [mg/m3]

160 [mg/m3]

독성 정보

Adverse EffectsDermatotoxin - Skin burns.

안전 데이터

wgk
2
tsca
TSCA listed
rtecs
UX1400000
ridadr
UN 2923 8/PG 3
독성
LD50 orally in Rabbit: 815 mg/kg LD50 dermal Rat 1331 mg/kg
HS 번호
29072900

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 · 2건

Printing Ink Manufacturing

1,2-Benzenediol, 4-(1,1-dimethylethyl)-: ACTIVE

응용 분야 · 2건

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.

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