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W218707

Sigma-Aldrich

Isobutyl butyrate

≥98%, FCC, FG

Synonym(s):

2-Methylpropyl butanoate, 2-Methylpropyl butyrate, Isobutyl butanoate, NSC 406938

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About This Item

Linear Formula:
CH3CH2CH2CO2CH2CH(CH3)2
CAS Number:
539-90-2
Molecular Weight:
144.21
FEMA Number:
2187
EC Number:
208-729-8
Council of Europe no.:
269
MDL number:
MFCD00027134
UNSPSC Code:
12164502
PubChem Substance ID:
24900900
Flavis number:
9.043
NACRES:
NA.21

biological source

synthetic

Quality Level

400

grade

FG
Halal
Kosher

agency

meets purity specifications of JECFA

reg. compliance

EU Regulation 1334/2008 & 178/2002
FCC
FDA 21 CFR 117
FDA 21 CFR 172.515

vapor density

5 (vs air)

assay

≥98%

refractive index

n20/D 1.403 (lit.)

bp

157-158 °C (lit.)

density

0.861 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

organoleptic

berry; fruity; sweet

SMILES string

CCCC(=O)OCC(C)C

InChI

1S/C8H16O2/c1-4-5-8(9)10-6-7(2)3/h7H,4-6H2,1-3H3

InChI key

RGFNRWTWDWVHDD-UHFFFAOYSA-N

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General description

Isobutyl butyrate is an aliphatic ester that can be used as a food flavoring agent. It is one of the volatile compounds produced in ripening bananas.

pictograms

FlameEnvironment
GHS02,GHS09

signalword

Warning

hcodes

H226,H411

Hazard Classifications

Aquatic Chronic 2 - Flam. Liq. 3

Storage Class

3 - Flammable liquids

wgk_germany

WGK 2

flash_point_f

114.8 °F - closed cup

flash_point_c

46 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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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Burdock GA
Encyclopedia of Food and Color Additives, 1, 1447-1448 (1997)
Burdock GA
Encyclopedia of Food and Color Additives, 1, 1447-1448 (1997)
Production of volatiles by ripening bananas.
Macku C & Jennings WG
Journal of Agricultural and Food Chemistry, 35(5), 845-848 (1987)
Optimization of solid-phase microextraction analysis for studying the change of headspace flavor compounds of banana during ripening
Liu TT & Yang TS
Journal of Agricultural and Food Chemistry, 50(4), 653-657 (2002)
Rachel S Leisso et al.
Physiologia plantarum, 153(2), 204-220 (2014-06-20)
'Soggy breakdown' (SB) is an internal flesh disorder of 'Honeycrisp' apple (Malus × domestica Borkh.) fruit that occurs during low temperature storage. The disorder is a chilling injury (CI) in which visible symptoms typically appear after several weeks of storage

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