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Safety Information

W350702

Sigma-Aldrich

Isoamyl isobutyrate

≥98%, FG

Synonym(s):

3-methylbutyl 2-methylpropanoate, Isopentyl isobutyrate

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About This Item

Linear Formula:
(CH3)2CHCH2CH2O2CCH(CH3)2
CAS Number:
2050-01-3
Molecular Weight:
158.24
FEMA Number:
3507
EC Number:
218-078-1
Council of Europe no.:
294
MDL number:
MFCD00053719
UNSPSC Code:
12164502
PubChem Substance ID:
24901748
Flavis number:
9.419
NACRES:
NA.21

biological source

synthetic

Quality Level

400

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
GHS02

Signal Word

Warning

Hazard Statements

H226

Hazard Classifications

Flam. Liq. 3

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

129.2 °F - closed cup

Flash Point(C)

54 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 2 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

W350702-9KG-K:
W350702-9KG:
W350702-1KG-K:
W350702-SAMPLE-K:
W350702-1KG:
W350702-4KG:
W350702-VAR-K:
W350702-BULK-K:
W350702-SAMPLE:
W350702-4KG-K:

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Certificates of Analysis (COA)

Lot/Batch Number
SHBN4231
SHBM5096
MKCF9361
MKBV0132V
MKBV0134V

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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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