3-(p-tert-부틸페닐)-2-메틸프로판올

Benzenepropanol, 4-(1,1-dimethylethyl)-beta-methyl-

HCID 92013CAS 56107-04-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(CO)Cc1ccc(C(C)(C)C)cc1
InChIKey: SJMDLCVBSNYMMJ-UHFFFAOYSA-N
분자식: C14H22O
평균 분자량: 206.32 g/mol
단동위원소 질량: 206.16706532

이름 및 식별자

우선 이름: Benzenepropanol, 4-(1,1-dimethylethyl)-beta-methyl-
IUPAC: 3-(4-tert-butylphenyl)-2-methylpropan-1-ol
현지명: 3-(p-tert-부틸페닐)-2-메틸프로판올
영어명: 3-(p-tert-butylphenyl)-2-methylpropanol
분자식: C14H22O
분자량: 206.32

이름 및 동의어

3-(p-tert-Butylphenyl)-2-methylpropanolBenzenepropanol, 4-(1,1-dimethylethyl)-beta-methyl-3-(4-tert-Butylphenyl)-2-methylpropyl alcoholBenzenepropanol, 4-(1,1-dimethylethyl)-.beta.-methyl-EINECS 259-996-2DTXSID30866535EC 259-996-2NSC 20782RefChem:563657DTXCID70814813259-996-256107-04-1

이름 더 보기

3-(p-tert-부틸페닐)-2-메틸프로판올4-(1,1-Dimethylethyl)-β-methylbenzene-1-propanol4-(1,1-dimethylethyl)-.beta.-methyl-Benzenepropanol

3-(4-tert-butylphenyl)-2-methylpropan-1-ol3-(4-(tert-butyl)phenyl)-2-methylpropan-1-olMFCD00458910NSC207823-(4-tert-Butyl-phenyl)-2-methyl-propan-1-ol3-[4-(tert-butyl)phenyl]-2-methylpropan-1-ol3-(4-tert-Butylphenyl)-2-methyl-propan-1-olSCHEMBL444104

데이터베이스 식별자

CAS: 56107-04-1
PubChem CID: 92013
DTXSID: DTXSID30866535
EC Number: 259-996-2
Nikkaji: J296.570D

물성

구조 계산 물성

XLogP: 4
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 4
무거운 원자 수: 15
형식 전하: 0
복잡도: 172

실험 및 물리화학적 성질

FragrancesFragrance Ingredient (3-(p-tert-Butylphenyl)-2-methylpropanol) -> IFRA transparency List

Endocrine DisruptorsPotential endocrine disrupting compound

물리화학적 성질

끓는 점: 302.4 · 302.4±11.0 °C(Predicted)
밀도: 0.938 · 0.938±0.06 g/cm3(Predicted)
저장 조건: Store at room temperature
산도 계수 (pKa): 14.96 · 14.96±0.10(Predicted)
화장품 원료 기능: 향수
LogP: 3.837 · 3.837 (est)
EPA: 4 · Benzenepropanol, 4-(1,1-dimethylethyl)-.beta.-methyl- (56107-04-1)

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 28.1% (65 of 231) of reports.

Warning

H302 (26.8%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P351+P338, P318, P321, P330, P333+P317, P337+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 231 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.