3-Hexyn-1-ol - CAS 1002-28-4

Catalog:	BB000133
Product Name:	3-Hexyn-1-ol
CAS:	1002-28-4
Synonyms:	hex-3-yn-1-ol

Technical Data

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Computed Properties

IUPAC Name:	hex-3-yn-1-ol
Description:	3-Hexyn-1-ol (CAS# 1002-28-4) is a useful research chemical.
Molecular Weight:	98.14
Molecular Formula:	C6H10O
Canonical SMILES:	CCC#CCCO
InChI:	InChI=1S/C6H10O/c1-2-3-4-5-6-7/h7H,2,5-6H2,1H3
InChI Key:	ODEHKVYXWLXRRR-UHFFFAOYSA-N
Boiling Point:	158.9 °C at 760 mmHg
Purity:	> 97.0 % (GC)
Density:	0.905 g/cm³
Appearance:	Colorless to yellow liquid
Storage:	Sealed in dry, 2-8 °C
MDL:	MFCD00002957
LogP:	0.78220

Publication Number	Title	Priority Date
CN-111302894-A	Method for synthesizing leaf alcohol from piperylene	20200331
WO-2021182144-A1	Manufacturing method and manufacturing device for organic esters	20200310
WO-2021156870-A1	Mixture of 3-hexen-1-ol isomers and a process of preparing same	20200206
CN-110860284-A	Supported catalyst and preparation method and application thereof	20191128
CN-110860284-B	Supported catalyst and preparation method and application thereof	20191128

PMID	Publication Date	Title	Journal
16380952	20060301	Characterization and catalytic-hydrogenation behavior of SiO2-embedded nanoscopic Pd, Au, and Pd-Au alloy colloids	Chemistry (Weinheim an der Bergstrasse, Germany)
15069499	20040421	First example of high loaded polymer-stabilized nanoclusters immobilized on hydrotalcite: effects in alkyne hydrogenation	Chemical communications (Cambridge, England)

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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:	82.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	98.073164938
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	98.073164938
Rotatable Bond Count:	1
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1