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Key Documents

W208019

Sigma-Aldrich

Isoamyl octanoate

natural, ≥98%, FG

Synonym(s):

Isoamyl caprylate

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About This Item

Linear Formula:
CH3(CH2)6CO2CH2CH2CH(CH3)2
CAS Number:
Molecular Weight:
214.34
FEMA Number:
2080
EC Number:
Council of Europe no.:
401
MDL number:
UNSPSC Code:
12164502
PubChem Substance ID:
Flavis number:
9.120
NACRES:
NA.21

grade

FG
Fragrance grade
Halal
natural

Quality Level

Agency

follows IFRA guidelines
meets purity specifications of JECFA

reg. compliance

EU Regulation 1223/2009
EU Regulation 1334/2008 & 178/2002
FDA 21 CFR 117

description

mixture of isoamyl octanoate and 2-methylbutyl octanoate

Assay

≥98%

refractive index

n20/D 1.426 (lit.)

bp

267-268 °C

density

0.861 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

Documentation

see Safety & Documentation for available documents

food allergen

no known allergens

Organoleptic

coconut; green; waxy; fruity; pineapple; sweet

SMILES string

CCCCCCCC(=O)OCCC(C)C

InChI

1S/C13H26O2/c1-4-5-6-7-8-9-13(14)15-11-10-12(2)3/h12H,4-11H2,1-3H3

InChI key

XKWSWANXMRXDES-UHFFFAOYSA-N

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Other Notes

Natural occurrence: Scotch, whiskey, bourbon whiskey, wine, banana, apple and strawberry.

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Hazard Classifications

Skin Irrit. 2

Storage Class Code

10 - Combustible liquids

WGK

WGK 2

Flash Point(F)

235.4 °F - closed cup

Flash Point(C)

113 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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