2-Hexen-1-OL

Catalog Number	ACM928950-1
CAS	928-95-0
Structure
IUPAC Name	(E)-Hex-2-en-1-ol
Synonyms	Trans-2-hexenol
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/b5-4+
InChI Key	ZCHHRLHTBGRGOT-SNAWJCMRSA-N
Boiling Point	158-160 °C
Melting Point	54.63 °C
Flash Point	130 °F
Purity	99%+
Density	0.849 g/mL at 25 °C(lit.)
Solubility	Slightly soluble in water
Complexity	48.1
Covalently-Bonded Unit Count	1
EC Number	218-972-1;213-191-2
Exact Mass	100.088815002
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	1
Monoisotopic Mass	100.088815002
NSC Number	142553
Refractive Index	n20/D 1.438(lit.)
Rotatable Bond Count	3
Topological Polar Surface Area	20.2 Å²
UNII	BVP79C4821
X Log P3	1.4

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