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Merck
CN

W218804

Butyl isobutyrate

≥97%, FCC, FG

Synonym(s):

Butyl 2-methylpropanoate, Butyl isobutanoate

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About This Item

Linear Formula:
(CH3)2CHCO2(CH2)3CH3
CAS Number:
97-87-0
Molecular Weight:
144.21
FEMA Number:
2188
Council of Europe no.:
291
UNSPSC Code:
12164502
PubChem Substance ID:
24900902
Flavis number:
9.416
EC Number:
202-614-6
NACRES:
NA.21
MDL number:
MFCD00048773
Organoleptic:
apple; banana; green; fruity; sweet
Grade:
FG, Fragrance grade, Halal, Kosher
Biological source:
synthetic
Agency:
follows IFRA guidelines, meets purity specifications of JECFA
Food allergen:
no known allergens

Key Documents

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biological source

synthetic

Quality Level

300, 400

grade

FG, Fragrance grade, Halal, Kosher

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, FDA 21 CFR 172.515

assay

≥97%

refractive index

n20/D 1.401 (lit.)

bp

155-156 °C (lit.)

density

0.862 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; banana; green; fruity; sweet

SMILES string

CCCCOC(=O)C(C)C

InChI

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

InChI key

JSLCOZYBKYHZNL-UHFFFAOYSA-N

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General description

Butyl isobutyrate is an aliphatic ester that can be used as a food flavoring agent. It is one of the main volatile flavor compounds present in Chardonnay musts.

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

3 - Flammable liquids

wgk

WGK 2

flash_point_f

109.4 °F - closed cup

flash_point_c

43 °C - closed cup

ppe

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

Regulatory Information

危险化学品

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Certificates of Analysis (COA)

Lot/Batch Number
SHBQ5075
SHBQ5074
SHBP6905
STBJ4538
STBJ2031

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Find documentation for the products that you have recently purchased in the Document Library.

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Burdock GA
Encyclopedia of Food and Color Additives, 1, 345-346 (1997)
Burdock GA
Encyclopedia of Food and Color Additives, 1, 345-346 (1997)
Evaluation of an aroma similar to that of sparkling wine: Sensory and gas chromatography analyses of fermented grape musts
Mamede ME, et al
Food Chemistry, 89(1), 63-68 (2005)

Global Trade Item Number

SKUGTIN
W218804-SAMPLE-K04061837519253
W218804-1KG-K04061837519239
W218804-5KG-K04061837519246

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