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W222216

Sigma-Aldrich

Isobutyric acid

natural, ≥99%, FCC, FG

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Synonym(s):
2-Methylpropionic acid
Linear Formula:
(CH3)2CHCO2H
CAS Number:
Molecular Weight:
88.11
FEMA Number:
2222
Beilstein/REAXYS Number:
635770
EC Number:
Council of Europe no.:
6c
MDL number:
PubChem Substance ID:
Flavis number:
8.006
NACRES:
NA.21

grade

FG
Fragrance grade
Kosher
natural

Quality Level

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

vapor density

3.04 (vs air)

vapor pressure

1.5 mmHg ( 20 °C)

assay

≥99%

autoignition temp.

824 °F

expl. lim.

10 %

refractive index

n20/D 1.393 (lit.)

bp

153-154 °C (lit.)

mp

−47 °C (lit.)

density

0.95 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

butter; acidic; rancid

SMILES string

CC(C)C(O)=O

InChI

1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)

InChI key

KQNPFQTWMSNSAP-UHFFFAOYSA-N

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1 of 4

This Item
5836096499W222208
vibrant-m

W222216

Isobutyric acid

vibrant-m

58360

Isobutyric acid

vibrant-m

96499

Isobutyric acid

vibrant-m

W222208

Isobutyric acid

organoleptic

butter; acidic; rancid

organoleptic

-

organoleptic

-

organoleptic

butter; acidic; rancid

fragrance allergen

no known allergens

fragrance allergen

-

fragrance allergen

-

fragrance allergen

-

grade

FG, Kosher, Fragrance grade, natural

grade

-

grade

certified reference material, TraceCERT®

grade

FG, Kosher

documentation

see Safety & Documentation for available documents

documentation

-

documentation

-

documentation

see Safety & Documentation for available documents

vapor density

3.04 (vs air)

vapor density

3.04 (vs air)

vapor density

3.04 (vs air)

vapor density

3.04 (vs air)

Other Notes

Natural occurrence: Roman chamomile, strawberry, dairy products.

signalword

Danger

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 4 Oral - Eye Dam. 1 - Flam. Liq. 3 - Skin Corr. 1B

Storage Class

3 - Flammable liquids

wgk_germany

WGK 1

flash_point_f

131.0 °F - closed cup

flash_point_c

55 °C - closed cup

ppe

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


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A Vyalikh et al.
Physical chemistry chemical physics : PCCP, 9(18), 2249-2257 (2007-05-10)
Solid state deuterium NMR has been used to study the molecular motion of d(6)-isobutyric acid (d(6)-iBA) in the pure (unconfined) state and confined in the cylindrical pores of two periodic mesoporous silica materials (MCM-41, pore size 3.3 nm and SBA-15
E M Faed et al.
Clinical and experimental pharmacology & physiology, 5(2), 195-198 (1978-03-01)
1. Two main conjugates of CPIB (2-[chlorophenoxy]-2-methylpropionic acid) are present in the urine of subjects taking clofibrate. The metabolites can be separated by thin-layer chromatography (TLC). 2. Both conjugates are hydrolysed by dilute alkali, but only one is hydrolysed by
Ritu Lal et al.
The Journal of pharmacology and experimental therapeutics, 330(3), 911-921 (2009-06-09)
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Kimberlee S Mix et al.
Molecular pharmacology, 65(2), 309-318 (2004-01-27)
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