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W350613

Sigma-Aldrich

2-Methylbutyl isovalerate

natural, ≥98%, FCC, FG

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Synonym(s):
2-Methylbutyl 3-methylbutanoate
Linear Formula:
(CH3)2CHCH2CO2CH2CH(CH3)C2H5
CAS Number:
Molecular Weight:
172.26
FEMA Number:
3506
EC Number:
Council of Europe no.:
10772
MDL number:
UNSPSC Code:
12164502
PubChem Substance ID:
Flavis number:
9.531
NACRES:
NA.21

grade

FG
Fragrance grade
Halal
Kosher
natural

Quality Level

Agency

follows IFRA guidelines
meets purity specifications of JECFA

reg. compliance

EU Regulation 1223/2009
EU Regulation 1334/2008 & 872/2012
FCC
FDA 21 CFR 172.515

Assay

≥98%

refractive index

n20/D 1.414 (lit.)

bp

191-195 °C (lit.)

density

0.858 g/mL at 25 °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; green; herbaceous; fruity; cheesy; wine-like

SMILES string

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

InChI

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

InChI key

CYGPPWVXOWCHJB-UHFFFAOYSA-N

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Other Notes

Natural occurrence: Peppermint, Scotch spearmint, sherry and whiskey.
Natural occurrence: Peppermint, Scotch, spearmint, sherry and whiskey

WGK

WGK 3

Flash Point(F)

closed cup

Flash Point(C)

closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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