(1,1-디메틸에틸)-1,2-벤젠디올

tert-Butylcatechol

HCID 77643CAS 27213-78-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)(C)c1cccc(O)c1O
InChIKey: JIGUICYYOYEXFS-UHFFFAOYSA-N
분자식: C10H14O2
평균 분자량: 166.22 g/mol
단동위원소 질량: 166.09937969

이름 및 식별자

우선 이름: tert-Butylcatechol
IUPAC: 3-tert-butylbenzene-1,2-diol
현지명: (1,1-디메틸에틸)-1,2-벤젠디올
영어명: tert-Butylcatechol
분자식: C10H14O2
분자량: 166.22

이름 및 동의어

tert-Butylcatechol27213-78-11,2-Benzenediol, (1,1-dimethylethyl)-06J124VX0ORefChem:8965473-(tert-Butyl)benzene-1,2-diol4026-05-53-tert-butylbenzene-1,2-diol3-tert-Butylpyrocatechol3-tert-butylcatecholtert-Butylpyrocatecholt-butylcatechol

이름 더 보기

(1,1-다이메틸에틸)-1,2-벤젠디올(1,1-디메틸에틸)-1,2-벤젠디올(1,1-다이메틸에틸)-1,2-벤젠디올((1,1-DIMETHYLETHYL)-1,2-BENZENEDIOL)tert-부틸카테콜(1,1-dimethylethyl)-2-benzenediol2-Benzenediol,(1,1-dimethylethyl)-1

3-(tert-Butyl)-1,2-benzenediolMFCD00515124t-butylpyrocatecholtert-butyl catecholtert.-butylcatechol29863-27-2SCHEMBL36109UNII-06J124VX0O

데이터베이스 식별자

CAS: 27213-78-1、4026-05-5
PubChem CID: 77643
DTXSID: DTXSID201367483
UNII: 47F26P1WUE
EC Number: 223-695-4、248-325-9
Nikkaji: J141.449F

물성

구조 계산 물성

XLogP: 2.9
극성 표면적: 40.5 Å²
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

Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR

물리화학적 성질

녹는점: 55 °C · 55 °C
끓는 점: 160 · 160-170 °C(Press: 4-5 Torr)
EPA: 1 · 1,2-Benzenediol, (1,1-dimethylethyl)- (27213-78-1)

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H302 (28.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P270, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 56 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H302: Harmful if swallowed [Warning Acute toxicity, oral]

유해성 정보

Regulatory Information · 2건

Chemical: 1,2-Benzenediol, (1,1-dimethylethyl)-

1,2-Benzenediol, (1,1-dimethylethyl)-: 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 InformationIMAP assessments - tert-butyl catechol: Human health tier II assessment

Hazard Classes and Categories · 2건

Acute Tox. 4 (28.6%)

Acute toxicity (ingestion) - category 4