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Merck
CN

W296000

Propyl isovalerate

natural (US), ≥98%, FG

Synonym(s):

Propyl 3-methylbutanoate, Propyl 3-methylbutyrate

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About This Item

Linear Formula:
(CH3)2CHCH2COO(CH2)2CH3
CAS Number:
557-00-6
Molecular Weight:
144.21
FEMA Number:
2960
Council of Europe no.:
443
UNSPSC Code:
12164502
PubChem Substance ID:
329830551
Flavis number:
9.448
EC Number:
209-148-2
NACRES:
NA.21
MDL number:
MFCD00048695
Beilstein/REAXYS Number:
1747146
Organoleptic:
apple; fruity; sweet
Grade:
FG, Fragrance grade, Halal, Kosher, natural (US)
Agency:
follows IFRA guidelines
Food allergen:
no known allergens

Key Documents

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SMILES string

CCCOC(=O)CC(C)C

InChI key

LSJMDWFAADPNAX-UHFFFAOYSA-N

InChI

1S/C8H16O2/c1-4-5-10-8(9)6-7(2)3/h7H,4-6H2,1-3H3

grade

FG, Fragrance grade, Halal, Kosher, natural (US)

agency

follows IFRA guidelines

reg. compliance

EU Regulation 1223/2009, EU Regulation 1334/2008 & 872/2012

assay

≥98%

density

0.862 g/mL at 20 °C (lit.)

application(s)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

fragrance allergen

no known allergens

organoleptic

apple; fruity; sweet

General description

Natural occurence: Apple, banana, gruyere cheese and jackfruit

Application

The non-specific fruitiness of this compound makes it a good fit for many types of fruit flavors, including apple, banana, blueberry, pear, peach, grape, strawberry, pineapple and tropicals like jackfruit and durian. These same notes will also add to the fruity complex of aged cheese like Parmesan, Asiago, and Romano.

Biochem/physiol Actions

Odor at 1%
Taste at 5-10ppm

pictograms

Flame
GHS02

signalword

Warning

hcodes

H226

Hazard Classifications

Flam. Liq. 3

Storage Class

3 - Flammable liquids

wgk

WGK 2

flash_point_f

111.2 °F

flash_point_c

44 °C

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
SHBM0623
MKCJ6370
MKCC6837
MKCB9462
MKBW0515V

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Organoleptic Characteristics of Flavor Materials
Michalski, J.
Perfumer & Flavorist, 39(4), 50-50 (2014)

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