Cis-3-Hexen-1-Ol

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Catalog Number
ACM928961
Product Name
Cis-3-Hexen-1-Ol
Structure
Structure
CAS
928-96-1
Category
Alkenes
Description
Liquid;Liquid;colourless liquid with a powerful, grassy-green odour
Synonyms
Leaf alcohol
IUPAC Name
(Z)-Hex-3-en-1-ol
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
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
Defined Atom Stereocenter Count
0
EC Number
213-192-8
Exact Mass
100.088815002
Formal Charge
0
Hazard Statements
H225-H304-H315-H319-H335
Heavy Atom Count
7
Hydrogen Bond Acceptor Count
1
Hydrogen Bond Donor Count
1
Isomeric SMILES
CC/C=C\CCO
Isotope Atom Count
0
LogP
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
Physical State
Liquid
Refractive Index
n20/D 1.44(lit.)
Rotatable Bond Count
3
Symbol
GHS02
Topological Polar Surface Area
20.2 Ų
UNII
V14F8G75P4
Vapor Pressure
0.94 mm Hg at 25 °C (est)
XLogP3
1.3
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