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Merck
CN

W208000

Isoamyl octanoate

≥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
Organoleptic:
coconut; green; fruity; waxy; pineapple; sweet
Grade:
FG
Halal
Biological source:
synthetic
Agency:
meets purity specifications of JECFA
Food allergen:
no known allergens

Key Documents

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Product Name

Isoamyl octanoate, ≥98%, FG

SMILES string

CCCCCCCC(=O)OCCC(C)C

InChI key

XKWSWANXMRXDES-UHFFFAOYSA-N

InChI

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

biological source

synthetic

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

Quality Level

300
400

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Biochem/physiol Actions

Taste at 20 ppm

General description

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

Other Notes

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

signalword

Warning

pictograms

Exclamation mark
GHS07

hcodes

H315

Hazard Classifications

Skin Irrit. 2

Storage Class

10 - Combustible liquids

wgk

WGK 2

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

ppe

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
SHBT0335
SHBS4676
SHBQ4734
STBJ9300
STBJ3707

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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)
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)
Mosciano, G.
Perfumer & Flavorist, 24, 50-50 (1999)

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