Structure

Linalyl formate

CAS
115-99-1
Catalog Number
ACM115991
Category
Other Products
Molecular Weight
182.26
Molecular Formula
C11H18O2

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Specification

Synonyms
Formic acid linalyl ester
IUPAC Name
3,7-Dimethylocta-1,6-dien-3-yl formate
Canonical SMILES
CC(=CCCC(C)(C=C)OC=O)C
InChI
InChI=1S/C11H18O2/c1-5-11(4,13-9-12)8-6-7-10(2)3/h5,7,9H,1,6,8H2,2-4H3
InChI Key
JZOCDHMHLGUPFI-UHFFFAOYSA-N
Boiling Point
100-103 °C
Flash Point
186 °F
Density
0.914 g/mL at 25 °C(lit.)
Solubility
Soluble in alcohol, most fixed oils; slightly soluble in propylene glycol and water; insoluble in glycerol
Exact Mass
182.130679813
Monoisotopic Mass
182.130679813
Physical State
Liquid
Refractive Index
n20/D 1.455(lit.)
Topological Polar Surface Area
26.3 Ų
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