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W208000

Sigma-Aldrich

Isoamyl octanoate

≥98%, FG

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Synonym(s):
Isoamyl caprylate
Linear Formula:
CH3(CH2)6CO2CH2CH2CH(CH3)2
CAS Number:
2035-99-6
Molecular Weight:
214.34
FEMA Number:
2080
EC Number:
218-004-8
Council of Europe no.:
401
MDL number:
MFCD00048917
UNSPSC Code:
12164502
PubChem Substance ID:
24900846
Flavis number:
9.120
NACRES:
NA.21

biological source

synthetic

Quality Level

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

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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.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315

Hazard Classifications

Skin Irrit. 2

WGK

WGK 2

Flash Point(F)

closed cup

Flash Point(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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Volatile compounds by SPME-GC as age markers of sparkling wines.
Francioli S, et al.
American Journal of Enology and Viticulture, 54(3), 158-162 (2003)
Quantitative determination of the odorants of young red wines from different grape varieties.
Ferreira V, et al.
Journal of the Science of Food and Agriculture, 80(11), 1659-1667 (2000)
Determination of volatile aroma compounds of Blaufrankisch wines extracted by solid-phase microextraction.
Vas G, et al.
Journal of Chromatographic Science, 36(10), 505-510 (1998)
Mosciano, G.
Perfumer & Flavorist, 24, 50-50 (1999)

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