Cis-3-Hexen-1-Ol

Catalog Number	ACM928961
CAS	928-96-1
Structure
IUPAC Name	(Z)-Hex-3-en-1-ol
Synonyms	Leaf alcohol
Molecular Weight	100.16
Molecular Formula	C6H12O
Canonical SMILES	CCC=CCCO
InChI	InChI=1S/C6H12O/c1-2-3-4-5-6-7/h3-4,7H,2,5-6H2,1H3/b4-3-
InChI Key	UFLHIIWVXFIJGU-ARJAWSKDSA-N
Boiling Point	156-157 °C
Melting Point	22.55 °C
Flash Point	112 °F
Purity	99%+
Density	0.848 g/mL at 25 °C(lit.)
Solubility	In water, 16,000 mg/L at 25 °C (est);Very soluble in ethanol and ether;Soluble in alcohol, propylene glycol, fixed oils;soluble in alcohol, propylene glycol and most fixed oils
Appearance	Colorless liquid
Shelf Life	Stable under recommended storage conditions.
Color Form	Colorless liquid
Complexity	48
Covalently-Bonded Unit Count	1
Dissociation Constants	pKa: 16.8 at 25 °C (est)
EC Number	213-192-8
Exact Mass	100.088815002
Hazard Statements	H225-H304-H315-H319-H335
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	1
Log P	log Kow = 1.61 (est)
Monoisotopic Mass	100.088815002
NSC Number	74451
Odor	Powerful grassy-green odor;Strong odor resembling that of isoamyl alcohol, approaching the odor of green leaves when highly dilute;Characteristic odor of freshly cut grass;Green, grassy, melon rind-like with a pungent freshness
Refractive Index	n20/D 1.44(lit.)
Rotatable Bond Count	3
Symbol	GHS02
Topological Polar Surface Area	20.2 Å²
UNII	V14F8G75P4
Vapor Pressure	0.94 mm Hg at 25 °C (est)
X Log P3	1.3

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