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W222216

Sigma-Aldrich

Isobutyric acid

natural, ≥99%, FCC, FG

Synonym(s):

2-Methylpropionic acid

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About This Item

Linear Formula:
(CH3)2CHCO2H
CAS Number:
79-31-2
Molecular Weight:
88.11
FEMA Number:
2222
Beilstein:
635770
EC Number:
201-195-7
Council of Europe no.:
6c
MDL number:
MFCD00002658
UNSPSC Code:
12164502
PubChem Substance ID:
24900937
Flavis number:
8.006
NACRES:
NA.21

grade

FG
Fragrance grade
Kosher
natural

Quality Level

400

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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Other Notes

Natural occurrence: Roman chamomile, strawberry, dairy products.

Signal Word

Danger

Hazard Statements

H226,H302,H311,H314

Hazard Classifications

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

Storage Class Code

3 - Flammable liquids

WGK

WGK 1

Flash Point(F)

131.0 °F - closed cup

Flash Point(C)

55 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
SHBN5823
SHBM1852
MKCJ3482
MKCD3322
MKCD8041

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Ritu Lal et al.
The Journal of pharmacology and experimental therapeutics, 330(3), 911-921 (2009-06-09)
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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
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
Julia Biermann et al.
Molecular vision, 17, 395-403 (2011-02-12)
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Kimberlee S Mix et al.
Molecular pharmacology, 65(2), 309-318 (2004-01-27)
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