alpha-Vinylbenzyl alcohol (HCID 92986)

Names & identifiers

Preferred name: alpha-Vinylbenzyl alcohol
IUPAC: 1-phenylprop-2-en-1-ol
English name: Vinylbenzyl alcohol
Molecular formula: C9H10O
Molecular weight: 134.18

Names & synonyms

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

Show more names

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

Database identifiers

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

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 103

Physicochemical properties

Boiling point: 101 · 101-102 °C/12 mmHg (lit.)
Density: 1.021 g/mL · 1.021 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.54(lit.)
Flash point: 202 °F · 202 °F
form: 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
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 6 items

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]

Hazard information

Hazard Classes and Categories · 2 items

Skin Irrit. 2 (100%)

Safety data

PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
Storage Class: 10 - Combustible liquids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications · 3 items

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

UsesαVinylbenzyl alcohol may be used in the synthesis of cinnamyl ethers by reacting with alcohols.

General Descriptionα-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.