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Merck
CN

W336900

Isobutyl isovalerate

natural (US), ≥99%, FG

Synonym(s):

2-Methylpropyl 3-methylbutyrate, Isobutyl 3-methyl butyrate

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About This Item

Empirical Formula (Hill Notation):
C9H18O2
CAS Number:
Molecular Weight:
158.24
FEMA Number:
3369
Council of Europe no.:
568
UNSPSC Code:
12164502
PubChem Substance ID:
Flavis number:
9.472
EC Number:
209-653-8
NACRES:
NA.21
MDL number:
Organoleptic:
apple; green; fruity; sweet
Grade:
FG, Fragrance grade, Halal, Kosher, natural (US)
Agency:
follows IFRA guidelines
Food allergen:
no known allergens
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SMILES string

CC(C)COC(=O)CC(C)C

InChI

1S/C9H18O2/c1-7(2)5-9(10)11-6-8(3)4/h7-8H,5-6H2,1-4H3

InChI key

KEBDNKNVCHQIJU-UHFFFAOYSA-N

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

≥99%

refractive index

n20/D 1.4060

density

0.851 g/mL at 25 °C

application(s)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

fragrance allergen

no known allergens

organoleptic

apple; green; fruity; sweet

Quality Level

pictograms

Flame

signalword

Warning

hcodes

Hazard Classifications

Flam. Liq. 3

Storage Class

3 - Flammable liquids

wgk

WGK 2

flash_point_f

127.4 °F - closed cup

flash_point_c

53.00 °C - closed cup

Regulatory Information

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