CAS
20359-56-2 Purity
96%
20359-56-2 Purity
96%
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Octanoic acid,3-methylbutyl ester
CAS
2035-99-6
Catalog Number
ACM2035996
Category
Other Products
Molecular Weight
214.39
Molecular Formula
C13H26O2
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Specification
Synonyms
Isoamyl caprylate, Isoamyl octanoate, Isoamyl octylate, Isopentyl octylate, Isopentyl octanoate, Octanoic acid, isopentyl ester, Isoamyl octanoate (natural), Isopentyl alcohol, octanoate, Octanoic acid, 3-methylbutyl ester, 3-METHYLBUTYL OCTANOATE, FEMA No. 2080, W208000_ALDRICH, W208019_ALDRICH, EINECS 218-004-8, BRN 1767760, AI3-01827, LS-2841, 4-02-00-00988 (Beilstein Handbook Reference), 2035-99-6
IUPAC Name
3-methylbutyl octanoate
Canonical SMILES
CCCCCCCC(=O)OCCC(C)C
InChI Key
XKWSWANXMRXDES-UHFFFAOYSA-N
Boiling Point
267-268ºC
Flash Point
>230 °F
Density
0.861 g/mL at 25ºC(lit.)
EC Number
218-004-8
Exact Mass
214.19300
Hazard Statements
Xi: Irritant;
H-Bond Acceptor
2
H-Bond Donor
0
Safety Description
26-36
WGK Germany
2
Upstream Synthesis Route 1
- 123-51-3
- 111-64-8
- 2035-99-6
Reference: [1]Truter
[Journal of the Chemical Society, 1951, p. 2416,2418]
Upstream Synthesis Route 2
- 123-51-3
- 124-07-2
- 2035-99-6
Reference: [1]Fan, Wenlai; Qian, Michael C.
[Journal of Agricultural and Food Chemistry, 2006, vol. 54, # 7, p. 2695 - 2704]
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