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Merck

W218715

Isobutyl butyrate

greener alternative

natural, ≥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:
Molecular Weight:
144.21
FEMA Number:
2187
Council of Europe no.:
269c
UNSPSC Code:
12164502
PubChem Substance ID:
Flavis number:
9.043
EC Number:
208-729-8
NACRES:
NA.21
MDL number:
Organoleptic:
berry; fruity; sweet
Grade:
FG, Fragrance grade, Halal, Kosher, natural
Agency:
follows IFRA guidelines, meets purity specifications of JECFA
Food allergen:
no known allergens
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Quality Level

grade

FG, Fragrance grade, Halal, Kosher, natural

agency

follows IFRA guidelines, meets purity specifications of JECFA

reg. compliance

EU Regulation 1223/2009, EU Regulation 1334/2008 & 178/2002, FCC, FDA 21 CFR 117

vapor density

5 (vs air)

assay

≥98%

greener alternative product characteristics

Less Hazardous Chemical Syntheses
Use of Renewable Feedstocks
Learn more about the Principles of Green Chemistry.

sustainability

Greener Alternative Product

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

fragrance allergen

no known allergens

greener alternative category

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

General description

Isobutyl butyrate is an aliphatic ester that can be used as a food flavoring agent. It is one of the volatile flavor compounds produced in ripening bananas.
We are committed to bringing you greener alternative products, which adhere to one or more of the 12 Principles of Green Chemistry. This product is Biobased and thus aligns with "Less Hazardous Chemical Syntheses" and "Use of Renewable Feedstocks".


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pictograms

Flame

signalword

Warning

hcodes

Hazard Classifications

Flam. Liq. 3

Storage Class

3 - Flammable liquids

flash_point_f

114.8 °F - closed cup

flash_point_c

46 °C - closed cup

ppe

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



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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)