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2-Ethyl-2-hydroxybutyric acid 99%

CAT: 0286-E10988Size: 5 gDry Ice: NoHazardous: No
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CAT#:0286-E10988Size:5 g
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CAS Number
3639-21-2
Synonyms
2,2-Diethylglycolic acid
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00004183
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-Ethyl-2-hydroxybutanoic acid

2-Ethyl-2-hydroxy-butyric acid is a hydroxy fatty acid.

CAS Number3639-21-2
PubChem CID77199
IUPAC Name2-ethyl-2-hydroxybutanoic acid
Molecular FormulaC6H12O3
Molecular Weight132.16
XLogP0.8
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count9
Formal Charge0
Complexity105
SMILES
CCC(CC)(C(=O)O)O
InChI
InChI=1S/C6H12O3/c1-3-6(9,4-2)5(7)8/h9H,3-4H2,1-2H3,(H,7,8)
InChIKey
LXVSANCQXSSLPA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Ethyl-2-hydroxybutanoic acid
CAS: 3639-21-2
CID: 77199
Formula: C6H12O3
MW: 132.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight132.16
XLogP30.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass132.078644241
Monoisotopic Mass132.078644241
Topological Polar Surface Area57.5 Ų
Heavy Atom Count9
Formal Charge0
Complexity105
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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