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W208000

Isoamyl octanoate

Name: Isoamyl octanoate
Brand: ALDRICH

≥98%, FG

Synonym(s):

Isoamyl caprylate

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About This Item

Linear Formula:

CH₃(CH₂)₆CO₂CH₂CH₂CH(CH₃)₂

CAS Number:

2035-99-6

Molecular Weight:

214.34

FEMA Number:

2080

Council of Europe no.:

401

UNSPSC Code:

12164502

PubChem Substance ID:

24900846

Flavis number:

9.120

EC Number:

218-004-8

NACRES:

NA.21

MDL number:

MFCD00048917

eCl@ss:

32130290

Organoleptic:

coconut; green; fruity; waxy; pineapple; sweet

Grade:

FG, Halal

Biological source:

synthetic

Agency:

meets purity specifications of JECFA

Food allergen:

no known allergens

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Properties

biological source

synthetic

Quality Segment

300, 400

grade

FG, Halal

agency

meets purity specifications of JECFA

reg. compliance

EU Regulation 1334/2008 & 178/2002, FDA 21 CFR 117, FDA 21 CFR 172.515

assay

≥98%

refractive index

n20/D 1.426 (lit.)

bp

260 °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; fruity; waxy; 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

Description

General description

Isoamyl octanoate is an aroma compound found in different kinds of wine.

Biochem/physiol Actions

Taste at 20 ppm

Other Notes

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

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Signal Word

Warning

Hazard Classifications

Skin Irrit. 2

Storage Class

10 - Combustible liquids

Flash Point (°F)

235.4 °F - closed cup

Flash Point (°C)

113 °C - closed cup

PPE (personal protective equipment)

dust mask type N95 (US), Eyeshields, Gloves

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