1-(4-메톡시페닐)에탄올

1-(4-Methoxyphenyl)ethanol

HCID 101148CAS 3319-15-1

기본 정보

표준 SMILES: COc1ccc(C(C)O)cc1
InChIKey: IUUULXXWNYKJSL-UHFFFAOYSA-N
분자식: C9H12O2
평균 분자량: 152.19 g/mol
단동위원소 질량: 152.08372962

개요

4-methoxy-alpha-methylbenzyl alcohol is a member of the class of benzyl alcohols that is alpha-methylbenzyl alcohol substituted by a methoxy group at position 4. It is a member of benzyl alcohols and a monomethoxybenzene.

이름 및 식별자

우선 이름: 1-(4-Methoxyphenyl)ethanol
IUPAC: 1-(4-methoxyphenyl)ethanol
현지명: 1-(4-메톡시페닐)에탄올
영어명: 1-(4-Methoxyphenyl)ethanol
분자식: C9H12O2
분자량: 152.19

이름 및 동의어

1-(4-Methoxyphenyl)ethanol3319-15-1DTXSID401311686RefChem:425793DTXCID408928001-(4-methoxyphenyl)ethan-1-ol4-Methoxy-alpha-methylbenzyl alcohol4-Methoxyphenyl methyl carbinol1-(p-Methoxyphenyl)ethanolMFCD000168574-Methoxy-.alpha.-methylbenzyl alcohol1-(4-methoxyphenyl)-ethanol

이름 더 보기

1-(4-메톡시페닐)에탄올methoxy-methylbenzylalcoholα-Methyl-4-methoxybenzyl alcoholAURORA KA-69924-METHOXY PHENYL ETHANOLP-(A-HYDROXYETHYL)ANISOLE4-(1-Hydroxyethyl)anisole1-(P-METHOXYPHENYL) ETHANOL1-(4'-METHOXYPHENYL) ETHANOL

(+/-)-1-(4-methoxyphenyl)ethanol018M85FD11NSC-4067121-(4-Methoxyphenyl)ethanol, (+/-)-Benzenemethanol, 4-methoxy-.alpha.-methyl-4-Methoxy-|A-methylbenzyl alcoholalpha-methyl-4-methoxybenzyl alcoholEINECS 222-019-5

데이터베이스 식별자

CAS: 3319-15-1
PubChem CID: 101148
DTXSID: DTXSID401311686
ChEBI: CHEBI:86566
UNII: 018M85FD11
EC Number: 222-019-5
Nikkaji: J205.401I

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 29.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 106

물리화학적 성질

끓는 점: 95 °C/1 · 95 °C/1 mmHg (lit.)
밀도: 1.079 g/mL · 1.079 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.533(lit.)
인화점: 165 °F · 165 °F
저장 조건: Sealed in dry,Room Temperature
용해도: 클로로포름, 아세트산에틸(약간 용해됨), 메탄올(소량으로 용해)
물리적 상태: 기름
산도 계수 (pKa): 14.49 · 14.49±0.20(Predicted)
색상: 무색
수용성: 물과 섞이지 않습니다.
BRN: 2043521 · 2043521
InChI: 1S/C9H12O2/c1-7(10)8-3-5-9(11-2)6-4-8/h3-7,10H,1-2H3
InChIKey: IUUULXXWNYKJSL-UHFFFAOYSA-N
SMILES: COc1ccc(cc1)C(C)O

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H227 (33.3%): Combustible liquid [Warning Flammable liquids]

P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 4 (33.3%)

안전 데이터

wgk: 3
HS 번호: 2909498090
safety_code: 24/25
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도1-(4-Methoxyphenyl)ethanol is used to study the steady-state and nanosecond, laser-flash photolysis. It is used to produce 4-(1-chloro-ethyl)-anisole.