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A-Hydroxyisovaleric acid 99%

CAT: 0286-H13270-01Size: 1 gDry Ice: NoHazardous: No
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CAS Number
4026-18-0
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00004242
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Not D.O.T.-Regulated
Precautions
P261 Avoid breathing dust/fume/gas/mist/vapors/spray; 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; P302+P352 IF ON SKIN: wash with plenty of soap and water; 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

(+-)-2-Hydroxyisovaleric acid

2-hydroxy-3-methylbutyric acid is a valine derivative that is valine in which the amino group has been replaced by a hydroxy group. It has a role as a human metabolite. It is functionally related to an isovaleric acid. It is a conjugate acid of a 2-hydroxy-3-methylbutyrate.

CAS Number4026-18-0
PubChem CID99823
IUPAC Name2-hydroxy-3-methylbutanoic acid
Molecular FormulaC5H10O3
Molecular Weight118.13
XLogP0.5
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count8
Formal Charge0
Complexity87
SMILES
CC(C)C(C(=O)O)O
InChI
InChI=1S/C5H10O3/c1-3(2)4(6)5(7)8/h3-4,6H,1-2H3,(H,7,8)
InChIKey
NGEWQZIDQIYUNV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (+-)-2-Hydroxyisovaleric acid
CAS: 4026-18-0
CID: 99823
Formula: C5H10O3
MW: 118.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight118.13
XLogP30.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass118.062994177
Monoisotopic Mass118.062994177
Topological Polar Surface Area57.5 Ų
Heavy Atom Count8
Formal Charge0
Complexity87.7
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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