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1,3-Propanediol, 2-methyl-2-propyl-

2-Methyl-2-propyl-1,3-propanediol

CAS: 78-26-2

Molecular Formula: C7H16O2

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1,3-Propanediol, 2-methyl-2-propyl- - Names and Identifiers

Name 2-Methyl-2-propyl-1,3-propanediol
Synonyms DURANOL
NSC 26233
Dimethylolpentane
2,2-Dimethylol-pentane
Carisoprodol intermediate H
2-METHYL-2-PROPYL-1,3-PROPANDIOL
2-Methyl-2-Propylpropan-1,3-Diol
2-Methyl-2-propyl-1,3-propanediol
2-methyl-2-propylpropane-1,3-diol
methyl-2-propyl-2-propanediol-1,3
1,3-Propanediol, 2-methyl-2-propyl-
2-methyl-2-propyl-1,3-propandiol (intermediate of meprobamate or carisoprodol)
CAS 78-26-2
EINECS 201-099-5
InChI InChI=1/C7H16O2/c1-3-4-7(2,5-8)6-9/h8-9H,3-6H2,1-2H3

1,3-Propanediol, 2-methyl-2-propyl- - Physico-chemical Properties

Molecular FormulaC7H16O2
Molar Mass132.2
Density0.9744 (rough estimate)
Melting Point57-59 °C (lit.)
Boling Point230 °C/753 mmHg (lit.)
Flash Point>230°F
Solubility Chloroform (Slightly), Methanol (Slightly)
Vapor Presure0.00999mmHg at 25°C
AppearanceWhite crystal
ColorWhite Low Melting
BRN1734432
pKa14.57±0.10(Predicted)
Storage ConditionRefrigerator
Refractive Index1.4474 (estimate)
MDLMFCD00004696
Physical and Chemical PropertiesWhite crystals. Melting point 62-63 ℃(58-60 ℃), boiling point 230 ℃(100.4kPa), soluble in water.
UseFor pharmaceutical applications

1,3-Propanediol, 2-methyl-2-propyl- - Risk and Safety

Hazard SymbolsXn - Harmful
Harmful
Risk CodesR36 - Irritating to the eyes
R22 - Harmful if swallowed
Safety DescriptionS22 - Do not breathe dust.
S24/25 - Avoid contact with skin and eyes.
S39 - Wear eye / face protection.
S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany1
RTECSTY9386000

1,3-Propanediol, 2-methyl-2-propyl- - Reference Information

NIST chemical information information provided by: webbook.nist.gov (external link)
EPA chemical substance information information provided by: ofmpeb.epa.gov (external link)
Use for organic synthesis. Intermediate of the weak neuroleptic methyl propamide Diester.
for pharmaceutical
production method 2-methylvaleraldehyde is obtained by catalytic hydrogenation of 2-methyl-2-pentenal, then, the product is prepared by carrying out hydroxymethylation and reduction reaction with formaldehyde. The hydrogenation reaction of 2-methyl-2-pentenal was carried out at 100 ° C. And 1.3-1.5MPa, and the yield was 80%. After 2-methylvaleraldehyde was obtained, it was added to 36% formaldehyde, and sodium hydroxide solution was added dropwise at room temperature. The reaction was exothermic, and naturally warmed to 70 ℃, then heated to 90 ℃, fed for 1H, cooled to 60 ℃ and left to stand. The upper layer was washed with water, and the washing liquid was combined with the lower layer, extraction with benzene. The extraction liquid and the upper liquid are combined, and after distilling and recovering benzene, vacuum distillation is carried out to collect the 160 ℃(14.7kPa) fraction, which is 2-methyl -2-propyl -1, 3-propanediol, yield 93%.
Last Update:2024-04-09 21:01:54
1,3-Propanediol, 2-methyl-2-propyl-
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