ChemicalBook--->CAS DataBase List--->597-31-9

597-31-9

597-31-9 Structure

597-31-9 Structure
IdentificationBack Directory
[Name]

3-Hydroxy-2,2-dimethylpropanal
[CAS]

597-31-9
[Synonyms]

pentaldol
pentaaldol
HYDROXYPIVALDEHYDE
hydroxypivalaldehyde
3-Hydroxypivalaldehyde
Mainlydiscontinueddimer
Hydroxytrimethylacetaldehyde
3-Hydroxy-2,2-dimethylpropal
2,2-Dimethylhydracrylaldehyde
2,2-dimethyl-hydracrylaldehyd
3-hydroxy-2,2-dimethyl-propana
3-Hydroxy-2,2-dimethylpropanal
2,2-dimethyl-3-hydroxy-propana
2,2-dimethyl-3-hydroxypropanal
2-(hyroxymethyl)-2-methylpropanal
Propanal, 3-hydroxy-2,2-dimethyl-
2,2-dimethyl-3-hydroxypropioaldehyde
2,2-Dimethyl-3-hydroxypropionaldehyde
3-hydroxy-2,2-dimethyl-propionaldehyd
3-hydroxy-2,2-dimethylpropionaldehyde
1-CYCLOPROPYL-2-(2-FLUOROBENZYL) KETONE
2,2-dimethyl-beta-hydroxypropionaldehyde
3-hydroxy-2,2-diMethyl- Propanal , your tieM
alpha,alpha-dimethyl-beta-hydroxypropionaldehyde
[EINECS(EC#)]

209-895-4
[Molecular Formula]

C5H10O2
[MDL Number]

MFCD00006963
[MOL File]

597-31-9.mol
[Molecular Weight]

102.13
Chemical PropertiesBack Directory
[Melting point ]

30-33 °C
[Boiling point ]

131.45°C (rough estimate)
[density ]

0.9571 (rough estimate)
[refractive index ]

1.5000 (estimate)
[storage temp. ]

Inert atmosphere,Store in freezer, under -20°C
[solubility ]

Chloroform (Slightly), DMSO, Methanol (Slightly), Water (Slightly)
[form ]

Solid
[pka]

14.25±0.10(Predicted)
[color ]

White to Off-White
[InChI]

InChI=1S/C5H10O2/c1-5(2,3-6)4-7/h3,7H,4H2,1-2H3
[InChIKey]

JJMOMMLADQPZNY-UHFFFAOYSA-N
[SMILES]

C(=O)C(C)(C)CO
[NIST Chemistry Reference]

2,2-Dimethyl-3-hydroxypropionaldehyde(597-31-9)
[EPA Substance Registry System]

Propanal, 3-hydroxy-2,2-dimethyl- (597-31-9)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[TSCA ]

TSCA listed
[HS Code ]

2912490090
[Hazardous Substances Data]

597-31-9(Hazardous Substances Data)
Raw materials And Preparation ProductsBack Directory
Hazard InformationBack Directory
[Chemical Properties]

Needle-shaped crystals. Melting point 89-90°C, boiling point 172-173°C (99.6 kPa, decomposition), 67-69°C (1.87 kPa).
[Uses]

3-Hydroxy-2,2-dimethylpropanal is used to prepare 4,1-benzoxazepines as squalene synthase inhibitors and their inhibition of cholesterol synthesis. It is also used to prepare chiral cyanohydrins.
Spectrum DetailBack Directory
[Spectrum Detail]

3-Hydroxy-2,2-dimethylpropanal(597-31-9)IR1
3-Hydroxy-2,2-dimethylpropanal(597-31-9)IR2
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