cis-2-Hexen-1-ol - CAS 928-94-9

Catalog:	BB040702
Product Name:	cis-2-Hexen-1-ol
CAS:	928-94-9
Synonyms:	hex-2-en-1-ol

Technical Data

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Literatures

Computed Properties

IUPAC Name:	(Z)-hex-2-en-1-ol
Description:	cis-2-Hexen-1-ol (CAS# 928-94-9) is used in the invention of a repellent for Oryzaephilus surinamensis.
Molecular Weight:	100.16
Molecular Formula:	C6H12O
Canonical SMILES:	CCCC=CCO
InChI:	InChI=1S/C6H12O/c1-2-3-4-5-6-7/h4-5,7H,2-3,6H2,1H3
InChI Key:	ZCHHRLHTBGRGOT-UHFFFAOYSA-N
Boiling Point:	157.00 °C (EPI 4.0)
Purity:	98.0 % (sum of isomers)
Density:	0.847 g/mL at 25°C(lit.)
Solubility:	Insoluble in water; soluble in alcohol.
Appearance:	Colorless liquid
Storage:	Store tightly sealed under inert gas in a cool, well-ventilated area.
LogP:	1.33500
Refractive Index:	1.437 : 1.445 at 20 deg C

Publication Number	Title	Priority Date
CN-112175182-A	Positive photosensitive polyesteramide resin and composition using same	20200930
CN-111595927-A	Device and method for distinguishing hexenol isomers by using water as derivative reagent	20200519
CN-212932486-U	Device for distinguishing hexenol isomers by taking water as derivative reagent	20200519
CN-111406745-A	Plant-source attractant for ips typographus and lure core as well as preparation method and application thereof	20200413
WO-2021202907-A2	Remdesivir and remdesivir analogs, solutions, and nanoparticle, liposomal, and microparticle compositions for treating viral infections	20200402

PMID	Publication Date	Title	Journal
22420267	20120201	Responses of Dendroctonus brevicomis (Coleoptera: Curculionidae) in behavioral assays: implications to development of a semiochemical-based tool for tree protection	Journal of economic entomology
21995489	20111110	Kinetics studies of the gas-phase reactions of NO3 radicals with series of 1-alkenes, dienes, cycloalkenes, alkenols, and alkenals	The journal of physical chemistry. A
21628908	20110101	Three new flavonoid glycosides, byzantionoside B 6'-O-sulfate and xyloglucoside of (Z)-hex-3-en-1-ol from Ruellia patula	Chemical & pharmaceutical bulletin
20730965	20100801	Hedge mustard (Sisymbrium officinale): chemical diversity of volatiles and their antimicrobial activity	Chemistry & biodiversity
18970814	20061015	Application of zNosetrade mark for the analysis of selected grape aroma compounds	Talanta

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GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P264, P280, P303+P361+P353, P305+P351+P338, P337+P313, P370+P378, P403+P235, and P501
Signal Word:	Warning

Complexity:	48.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	100.088815002
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	100.088815002
Rotatable Bond Count:	3
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4