3-페닐프로펜-3-올

alpha-Vinylbenzyl alcohol

HCID 92986CAS 42273-76-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: C=CC(O)c1ccccc1
InChIKey: MHHJQVRGRPHIMR-UHFFFAOYSA-N
분자식: C9H10O
평균 분자량: 134.17 g/mol
단동위원소 질량: 134.07316494

이름 및 식별자

우선 이름: alpha-Vinylbenzyl alcohol
IUPAC: 1-phenylprop-2-en-1-ol
영어명: Vinylbenzyl alcohol
분자식: C9H10O
분자량: 134.18

이름 및 동의어

alpha-Vinylbenzyl alcohol42273-76-7NSC 167595RefChem:555959628-880-7822-340-61-phenylprop-2-en-1-ol4393-06-01-Phenylallyl alcohol3-Phenylpropene-3-olPhenylvinylcarbinol1-Phenyl-2-propen-1-ol

이름 더 보기

AURORA KA-7349Vinylbenzyl alcoholα-Vinylbenzyl alcoholalpha-Vinylbenzyl alcohol 97%Fluoxetine intermediate FXT-2aVINYLBENZYL ALCOHOL ISO 9001：2015 REACH

MFCD000939871'-Hydroxyallylbenzenevinylphenylcarbinol2-Propen-1-ol, 1-phenyl-Benzenemethanol, .alpha.-ethenyl-1-phenyl-prop-2-en-1-olBenzenemethanol, alpha-ethenyl-alpha-Phenylallyl alcohol

데이터베이스 식별자

CAS: 42273-76-7、4393-06-0
PubChem CID: 92986
DTXSID: DTXSID901346753
EC Number: 628-880-7、822-340-6
Nikkaji: J101.131F

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 10
형식 전하: 0
복잡도: 103

물리화학적 성질

끓는 점: 101 · 101-102 °C/12 mmHg (lit.)
밀도: 1.021 g/mL · 1.021 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.54(lit.)
인화점: 202 °F · 202 °F
물리적 상태: liquid
InChI: 1S/C9H10O/c1-2-9(10)8-6-4-3-5-7-8/h2-7,9-10H,1H2
InChIKey: MHHJQVRGRPHIMR-UHFFFAOYSA-N
SMILES: OC(C=C)c1ccccc1

안전 및 규제

GHS 분류

GHS Classification · 6건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

유해성 정보

Hazard Classes and Categories · 2건

Skin Irrit. 2 (100%)

안전 데이터

wgk: 3
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 2건

용도α-Vinylbenzyl alcohol may be used in the synthesis of cinnamyl ethers by reacting with alcohols.

일반 설명α-Vinylbenzyl alcohol is an allyl alcohol derivative. Its isomerization reaction using a novel ternary catalyst system has been reported. The kinetic resolution of racemic α-vinylbenzyl alcohol by tungsten-catalyzed asymmetric epoxidation method has been repoorted. The coupling reaction of α-vinylbenzyl alcohol and aldehydes in the presence of RuCl2(PPh3)3 catalyst and In(OAc)3 as a co-catalyst in ionic liquids has been investigated. Etherification reaction of glycerol with α-vinylbenzyl alcohol in the presence of sulfonic catalyst immobilized on silica (SiO2–SO3H) has been reported.