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Merck
CN

W208507

Isoamyl isovalerate

≥98%, FCC, FG

Synonym(s):

Isopentyl 3-methylbutyrate, Isopentyl isovalerate

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About This Item

Linear Formula:
(CH3)2CHCH2CO2CH2CH2CH(CH3)2
CAS Number:
659-70-1
Molecular Weight:
172.26
FEMA Number:
2085
Council of Europe no.:
458
UNSPSC Code:
12164502
PubChem Substance ID:
24900854
Flavis number:
9.463
EC Number:
211-536-1
NACRES:
NA.21
MDL number:
MFCD00048369
Organoleptic:
apple; green; fruity; sweet
Grade:
FG, Halal, Kosher
Biological source:
synthetic
Agency:
meets purity specifications of JECFA
Food allergen:
no known allergens

Key Documents

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SMILES string

CC(C)CCOC(=O)CC(C)C

InChI key

XINCECQTMHSORG-UHFFFAOYSA-N

InChI

1S/C10H20O2/c1-8(2)5-6-12-10(11)7-9(3)4/h8-9H,5-7H2,1-4H3

biological source

synthetic

grade

FG, Halal, Kosher

agency

meets purity specifications of JECFA

reg. compliance

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

assay

≥98%

impurities

<30% 2-methylbutyl isovalerate

refractive index

n20/D 1.412 (lit.)

bp

192-193 °C (lit.)

density

0.854 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

organoleptic

apple; green; fruity; sweet

Quality Level

300, 400

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Related Categories

General description

Isoamyl isovalerate is an apple flavor volatile compound mainly found in apple and banana. It is used as a flavoring agent in chewing gums, candies and baked goods.

Application


  • Evaluation of PTR-ToF-MS as a tool to track the behavior of hop-derived compounds during the fermentation of beer.: This study discusses the use of isoamyl isovalerate in tracking fermentation processes, impacting flavor development in beer production (Richter et al., 2018).

pictograms

Environment
GHS09

hcodes

H411

Hazard Classifications

Aquatic Chronic 2

Storage Class

10 - Combustible liquids

wgk

WGK 2

flash_point_f

176.0 °F - closed cup

flash_point_c

80 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
SHBS8282
SHBS3624
SHBS0210
SHBQ4184
SHBQ4190

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Fenaroli G
Fenaroli's Handbook of Flavor Ingredients, Fifth Edition, 278-278 (1971)
Fenaroli G
Fenaroli's Handbook of Flavor Ingredients, Fifth Edition, 278-278 (1971)
Enzymic synthesis of isoamyl isovalerate using immobilized lipase from Rhizomucor miehei: a multivariate analysis
Chowdary GV, et al.
Process. Biochem., 36(4), 331-339 (2000)

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