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3-Hydroxy-2,2-dimethylpropanal

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Name

3-Hydroxy-2,2-dimethylpropanal

EINECS 209-895-4
CAS No. 597-31-9 Density 0.964g/cm3
Solubility Melting Point
Formula C5H10 O2 Boiling Point 204.4°Cat760mmHg
Molecular Weight 102.13 Flash Point 60.3°C
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 597-31-9 (Propanal,3-hydroxy-2,2-dimethyl-) Hazard Symbols
Synonyms

Hydracrylaldehyde,2,2-dimethyl- (6CI,7CI,8CI); 2,2-Dimethyl-3-hydroxypropanal;2,2-Dimethyl-3-hydroxypropionaldehyde; 2-(Hydroxymethyl)-2-methylpropanal;2-(Hydroxymethyl)isobutyraldehyde; 3-Hydroxy-2,2-dimethylpropanal;3-Hydroxy-2,2-dimethylpropionaldehyde; 3-Hydroxypivalaldehyde;Hydroxypivalaldehyde; Hydroxypivaldehyde; Pentaaldol; Pentaldol; a,a-Dimethyl-b-hydroxypropionaldehyde

 

3-Hydroxy-2,2-dimethylpropanal Chemical Properties

Molecular Structure of 3-Hydroxy-2,2-dimethylpropanal (CAS NO.597-31-9):

IUPAC Name: 3-Hydroxy-2,2-dimethylpropanal 
Molecular Formula: C5H10O2
Molecular Weight: 102.13
EINECS: 209-895-4 
XLogP3-AA: -0.1
H-Bond Donor: 1
H-Bond Acceptor: 2 
Index of Refraction: 1.421
Molar Refractivity: 26.9 cm3
Molar Volume: 105.9 cm3
Surface Tension: 31.9 dyne/cm
Density: 0.964 g/cm3
Flash Point: 60.3 °C
Enthalpy of Vaporization: 51.26 kJ/mol
Boiling Point: 204.4 °C at 760 mmHg
Vapour Pressure: 0.0632 mmHg at 25 °C
Canonical SMILES: CC(C)(CO)C=O
InChI: InChI=1S/C5H10O2/c1-5(2,3-6)4-7/h3,7H,4H2,1-2H3
InChIKey: JJMOMMLADQPZNY-UHFFFAOYSA-N

3-Hydroxy-2,2-dimethylpropanal Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1600mg/kg (1600mg/kg) BEHAVIORAL: MUSCLE WEAKNESS

BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
National Technical Information Service. Vol. OTS0533626,
mouse LD50 oral 3200mg/kg (3200mg/kg) BEHAVIORAL: MUSCLE WEAKNESS

BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
National Technical Information Service. Vol. OTS0533626,
rat LD50 intraperitoneal 800mg/kg (800mg/kg) BEHAVIORAL: GENERAL ANESTHETIC

BEHAVIORAL: MUSCLE WEAKNESS

BEHAVIORAL: ATAXIA
National Technical Information Service. Vol. OTS0533626,
rat LD50 oral 3200mg/kg (3200mg/kg) BEHAVIORAL: GENERAL ANESTHETIC

BEHAVIORAL: MUSCLE WEAKNESS

BEHAVIORAL: ATAXIA
National Technical Information Service. Vol. OTS0533626,

3-Hydroxy-2,2-dimethylpropanal Specification

 3-Hydroxy-2,2-dimethylpropanal (CAS NO.597-31-9), its Synonyms are 2,2-Dimethyl-3-hydroxypropanal ; 2,2-Dimethyl-beta-hydroxypropionaldehyde ; 2-(Hyroxymethyl)-2-methylpropanal ; 3-Hydroxypivalaldehyde ; Hydracrylaldehyde, 2,2-dimethyl- ; Hydroxypivalaldehyde ; Hydroxypivaldehyde ; Pentaaldol ; Pentaldol ; Propanal, 3-hydroxy-2,2-dimethyl- ; Propionaldehyde, 3-hydroxy-2,2-dimethyl- ; alpha,alpha-Dimethyl-beta-hydroxypropionaldehyde ; Hydracrylaldehyde, 2,2-dimethyl- (6CI,7CI,8CI) ; Propanal, 2,2-dimethyl-3-hydroxy- .

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