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Structure

cis-3-hexenyl lactate

CAS
61931-81-5
Catalog Number
ACM61931815
Category
Other Products
Molecular Weight
172.22
Molecular Formula
C9H16O3

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Specification

Synonyms
Propanoic acid, 2-hydroxy-, (3Z)-3-hexen-1-yl ester
IUPAC Name
[(Z)-Hex-3-enyl] 2-hydroxypropanoate
Canonical SMILES
CCC=CCCOC(=O)C(C)O
InChI
InChI=1S/C9H16O3/c1-3-4-5-6-7-12-9(11)8(2)10/h4-5,8,10H,3,6-7H2,1-2H3/b5-4-
InChI Key
NNLLMULULOBXBY-PLNGDYQASA-N
Boiling Point
71 °C
Flash Point
>230 °F
Density
0.982 g/mL at 25 °C(lit.)
Solubility
Slightly soluble in water; soluble in organic solvents, oils
Exact Mass
172.109944368
Isomeric SMILES
CC/C=C\CCOC(=O)C(C)O
Monoisotopic Mass
172.109944368
Physical State
Liquid
Refractive Index
n20/D 1.446(lit.)
Topological Polar Surface Area
46.5 Ų
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