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Isobutyric acid 99%

CAT: 0286-I06450-01Size: 500 mLDry Ice: NoHazardous: Yes
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CAT#:0286-I06450-01Size:500 mL
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CAS Number
79-31-2
Synonyms
2-Methylpropionic acid
UN Code
UN2529
Pictogram
02 - Flammable; 05 - Corrosive; 07 - Irritant
UDF Signal Word
Danger
MDL Number
MFCD00002658
Hazard Statement
H226 Flammable liquid and vapor; H302 Harmful if swallowed; H312 Harmful in contact with skin; H314 Causes severe skin burns and eye damage; H319 Causes serious eye irritation; H332 Harmful if inhaled; H402 Harmful to aquatic life.
DOT Name
Isobutyric Acid
DOT Classification
Class 3, 8
Packaging Group
PGIII
Precautions
P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking; P260 Do not breathe dust/fume/gas/mist/vapors/spray; P264 Wash skin thoroughly after handling; P273 Avoid release to the environment; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting; P302+P352 IF ON SKIN: wash with plenty of soap and water; P303+P361+P353 IF ON SKIN (or hair) : Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

Isobutyric Acid

Isobutyric acid is a branched fatty acid comprising propanoic acid carrying a methyl branch at C-2. It has a role as a volatile oil component, a plant metabolite and a Daphnia magna metabolite. It is a fatty acid 4:0, a branched-chain saturated fatty acid and a methyl-branched fatty acid. It is a conjugate acid of an isobutyrate.

CAS Number79-31-2
PubChem CID6590
IUPAC Name2-methylpropanoic acid
Molecular FormulaC4H8O2
Molecular Weight88.11
XLogP0.8
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count6
Formal Charge0
Complexity56
SMILES
CC(C)C(=O)O
InChI
InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)
InChIKey
KQNPFQTWMSNSAP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Isobutyric Acid
CAS: 79-31-2
CID: 6590
Formula: C4H8O2
MW: 88.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight88.11
XLogP30.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass88.052429494
Monoisotopic Mass88.052429494
Topological Polar Surface Area37.3 Ų
Heavy Atom Count6
Formal Charge0
Complexity56.6
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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