2-(T-부틸)-3-클로로메틸-4,6-디메틸페놀

6-tert-Butyl-3-(chloromethyl)-2,4-dimethylphenol

HCID 90131CAS 23500-79-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1cc(C(C)(C)C)c(O)c(C)c1CCl
InChIKey: WODZSHMAILHEGD-UHFFFAOYSA-N
분자식: C13H19ClO
평균 분자량: 226.74 g/mol
단동위원소 질량: 226.11244291

이름 및 식별자

우선 이름: 6-tert-Butyl-3-(chloromethyl)-2,4-dimethylphenol
IUPAC: 6-tert-butyl-3-(chloromethyl)-2,4-dimethylphenol
현지명: 2-(T-부틸)-3-클로로메틸-4,6-디메틸페놀
영어명: 2-(t-Butyl)-3-chloromethyl-4,6-dimethylphenol
분자식: C13H19ClO
분자량: 226.74

이름 및 동의어

6-tert-butyl-3-(chloromethyl)-2,4-dimethylphenolPhenol, 3-(chloromethyl)-6-(1,1-dimethylethyl)-2,4-dimethyl-UNII-UBT89ISP7LUBT89ISP7L3-(Chloromethyl)-6-(1,1-dimethylethyl)-2,4-dimethylphenol2,4-Dimethyl-3-(chloromethyl)-6-tert-butylphenol6-tert-Butyl-3-(chloromethyl)-2,4-xylenolEINECS 245-697-4Phenol, 6-tert-butyl-3-(chloromethyl)-2,4-dimethyl-6-tert-Butyl-3-chloromethyl-2,4-xylenolDTXSID30278276-TERT-BUTYL-3-CHLOROMETHYL-2,4-DIMETHYLPHENOL

이름 더 보기

2-(T-부틸)-3-클로로메틸-4,6-디메틸페놀Butenafine Impurity 87Oxymetazoline Impurity 4Hydroxymethazoline impurity 102-(t-Butyl)-3-chloromethyl-4,6-dimethylphenol2-tert-Butyl-3-chloromethyl-4,6-dimethylphenol3-Chloromethyl-6-(1,1-dimethylethyl)-2,4-dimethylphenol2,4-Dimethyl-3-(chloromethyl)-6-(1,1-dimethylethyl)phenol

4-TERT-BUTYL-3-HYDROXY-2,6-DIMETHYLBENZYL CHLORIDERefChem:199123DTXCID70782723500-79-04-tert butyl-2,6-dimethyl-3-hydroxy benzyl chlorideOxymetazoline Impurity N1SCHEMBL1720100SCHEMBL29824041

데이터베이스 식별자

CAS: 23500-79-0
PubChem CID: 90131
DTXSID: DTXSID3027827
UNII: UBT89ISP7L
EC Number: 245-697-4
Nikkaji: J228.981D

물성

구조 계산 물성

XLogP: 4.4
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 209

실험 및 물리화학적 성질

Physical DescriptionLiquid

물리화학적 성질

끓는 점: 312.9 · 312.9±37.0 °C(Predicted)
밀도: 1.055 · 1.055±0.06 g/cm3(Predicted)
산도 계수 (pKa): 11.65 · 11.65±0.28(Predicted)
EPA: 3 · Phenol, 3-(chloromethyl)-6-(1,1-dimethylethyl)-2,4-dimethyl- (23500-79-0)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 1건

Phenol, 3-(chloromethyl)-6-(1,1-dimethylethyl)-2,4-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 3-(chloromethyl)-6-(1,1-dimethylethyl)-2,4-dimethyl- 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)

Hazard Classes and CategoriesAcute Tox. 4 (100%)