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Safety Information

W350702

Sigma-Aldrich

Isoamyl isobutyrate

≥98%, FG

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Synonym(s):
3-methylbutyl 2-methylpropanoate, Isopentyl isobutyrate
Linear Formula:
(CH3)2CHCH2CH2O2CCH(CH3)2
CAS Number:
Molecular Weight:
158.24
FEMA Number:
3507
EC Number:
Council of Europe no.:
294
MDL number:
UNSPSC Code:
12164502
PubChem Substance ID:
Flavis number:
9.419
NACRES:
NA.21

biological source

synthetic

Quality Level

grade

FG
Halal
Kosher

reg. compliance

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

Assay

≥98%

refractive index

n20/D 1.406 (lit.)

bp

169-171 °C (lit.)

density

0.856 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

Documentation

see Safety & Documentation for available documents

food allergen

no known allergens

Organoleptic

green; waxy; fruity; sweet

SMILES string

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

InChI

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

InChI key

VFTGLSWXJMRZNB-UHFFFAOYSA-N

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General description

Isoamyl isobutyrate has been reported to be one of the hop aroma constituents in beer.

Pictograms

Flame

Signal Word

Warning

Hazard Statements

Hazard Classifications

Flam. Liq. 3

WGK

WGK 3

Flash Point(F)

closed cup

Flash Point(C)

closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

危险化学品

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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Hop flavor constituents in beer by headspace analysis.
Murakami A, et al.
Zeitschrift fur Lebensmittel-Untersuchung Und -Forschung, 45(1) (1987)

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