Octanoic acid,3-methylbutyl ester

Catalog Number

ACM2035996

Product Name

Octanoic acid,3-methylbutyl ester

CAS

2035-99-6

Category

Heterocyclic Organic Compound

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

Molecular Weight

214.39

Molecular Formula

C₁₃H₂₆O₂

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

MSDS

COA

Spec Sheet