α-Vinylbenzyl alcohol - CAS 42273-76-7

Catalog:	BB025094
Product Name:	α-Vinylbenzyl alcohol
CAS:	42273-76-7
Synonyms:	1-phenylprop-2-en-1-ol

Technical Data

Safety and Hazards

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Computed Properties

IUPAC Name:	1-phenylprop-2-en-1-ol
Description:	α-Vinylbenzyl alcohol (CAS# 42273-76-7 ) is a useful research chemical.
Molecular Weight:	134.18
Molecular Formula:	C9H10O
Canonical SMILES:	C=CC(C1=CC=CC=C1)O
InChI:	InChI=1S/C9H10O/c1-2-9(10)8-6-4-3-5-7-8/h2-7,9-10H,1H2
InChI Key:	MHHJQVRGRPHIMR-UHFFFAOYSA-N
Boiling Point:	101-102 °C / 12 mmHg (lit.)
Density:	1.021 g/cm³
Appearance:	Colorless liquid
MDL:	MFCD00093987
LogP:	1.90600

Publication Number	Title	Priority Date
CN-113429249-A	Method for synthesizing chiral 4-hydroxy amino acid derivative	20210617
CN-113512090-A	Granzyme B binding compound, precursor compound thereof and application	20210430
CN-112675920-A	Mono-chiral center catalyst, preparation thereof and method for catalytically synthesizing chiral alcohol compound and chiral alpha-allyl alcohol	20201224
CN-112047842-A	1, 4-diene compound and preparation method and application thereof	20200914
CN-112010822-A	Method for preparing chiral gamma-amino alcohol and chiral alpha-allyl alcohol by one-pot method	20200813

PMID	Publication Date	Title	Journal
20877148	20100101	Synthesis of cinnamyl ethers from α-vinylbenzyl alcohol using iodine as catalyst	Journal of oleo science
16724218	20061001	Identification of sulfation sites of metabolites and prediction of the compounds' biological effects	Analytical and bioanalytical chemistry
14703387	20040109	A versatile stereoselective synthesis of endo,exo-furofuranones: application to the enantioselective synthesis of furofuran lignans	The Journal of organic chemistry
14685334	20031207	Alpha-oximono-esters as precursors to heterocycles--generation of oxazinone N-oxides and cycloaddition to alkene dipolarophiles	Organic & biomolecular chemistry
6825084	19830301	Structure-activity studies of the carcinogenicities in the mouse and rat of some naturally occurring and synthetic alkenylbenzene derivatives related to safrole and estragole	Cancer research

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	103
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	134.073164938
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	134.073164938
Rotatable Bond Count:	2
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9