2-Ethynylbenzyl alcohol - CAS 10602-08-1

Catalog:	BB001760
Product Name:	2-Ethynylbenzyl alcohol
CAS:	10602-08-1
Synonyms:	(2-ethynylphenyl)methanol

Technical Data

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Computed Properties

IUPAC Name:	(2-ethynylphenyl)methanol
Description:	2-Ethynylbenzyl alcohol (CAS# 10602-08-1 ) is a useful research chemical.
Molecular Weight:	132.16
Molecular Formula:	C9H8O
Canonical SMILES:	C#CC1=CC=CC=C1CO
InChI:	InChI=1S/C9H8O/c1-2-8-5-3-4-6-9(8)7-10/h1,3-6,10H,7H2
InChI Key:	ZKCWIJQOZHADEM-UHFFFAOYSA-N
Boiling Point:	254 °C at 760 mmHg
Melting Point:	66-70 °C(lit.)
Purity:	95 %
Density:	1.08 g/cm³
Storage:	Keep in dark place, Inert atmosphere, 2-8 °C
MDL:	MFCD06200681
LogP:	1.16020

Publication Number	Title	Priority Date
WO-2020223672-A1	Functionalized cyclic polymers and methods of preparing same	20190501
CN-107954960-A	A kind of synthetic method of 1,3- dihydroisobenzofurans class compound	20171214
EP-3625218-A1	Process for hydrocyanation of terminal alkynes	20170517
US-2020181068-A1	Process for hydrocyanation of terminal alkynes	20170517
WO-2018210631-A1	Process for hydrocyanation of terminal alkynes	20170517

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P280, P285, P301+P312, P304+P341, P305+P351+P338, P330, P337+P313, P342+P311, and P501
Signal Word:	Danger

Complexity:	142
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	132.057514874
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	132.057514874
Rotatable Bond Count:	2
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3