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Safety Information

W336900

Sigma-Aldrich

Isobutyl isovalerate

natural (US), ≥99%, FG

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Synonym(s):
2-Methylpropyl 3-methylbutyrate, Isobutyl 3-methyl butyrate
Empirical Formula (Hill Notation):
C9H18O2
CAS Number:
Molecular Weight:
158.24
FEMA Number:
3369
EC Number:
Council of Europe no.:
568
MDL number:
UNSPSC Code:
12164502
PubChem Substance ID:
Flavis number:
9.472
NACRES:
NA.21

grade

FG
Fragrance grade
Halal
Kosher
natural (US)

Quality Level

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

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

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Pictograms

Flame

Signal Word

Warning

Hazard Statements

Precautionary Statements

Hazard Classifications

Flam. Liq. 3

WGK

WGK 2

Flash Point(F)

127.4 °F

Flash Point(C)

53.00 °C

Regulatory Information

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