ChemicalBook--->CAS DataBase List--->78-26-2

78-26-2

78-26-2 Structure

78-26-2 Structure
IdentificationMore
[Name]

2-Methyl-2-propyl-1,3-propanediol
[CAS]

78-26-2
[Synonyms]

2,2-BIS(HYDROXYMETHYL)PENTANE
2,2-DIMETHYLOL-PENTANE
2-METHYL-2-N-PROPYL-1,3-PROPANEDIOL
2-METHYL-2-PROPYL-1,3-PROPANEDIOL
2-methyl-2-propyl-3-propanediol
3-Propanediol,2-methyl-2-propyl-1
2-Methyl-2-Propylpropan-1,3-Diol
Dimethylolpentane,97%
2-methyl-2-propylpropane-1,3-diol
2-METHYL-2-PROPYL-1,3-PROPANDIOL
Carisoprodol intermediate H
NSC 26233
1,3-Propanediol, 2-methyl-2-propyl-
2-methyl-2-propyl-1,3-propandiol (intermediate of meprobamate or carisoprodol)
DURANOL
2-METHYL-2-PROPYL-1,3-PROPANEDIOL [FOR CARISOPRODOL]
methyl-2-propyl-2-propanediol-1,3
2-METHYL-2-PROPYL-1,3-PROPANEDIOL,99%
2-Propyl-2-methyl-1,3-propanediol
Pentane-2,2-dimethanol
[EINECS(EC#)]

201-099-5
[Molecular Formula]

C7H16O2
[MDL Number]

MFCD00004696
[Molecular Weight]

132.2
[MOL File]

78-26-2.mol
Chemical PropertiesBack Directory
[Appearance]

Whgite Crystalline Solid
[Melting point ]

57-59 °C (lit.)
[Boiling point ]

230 °C/753 mmHg (lit.)
[density ]

0.9744 (rough estimate)
[refractive index ]

1.4474 (estimate)
[Fp ]

>230 °F
[storage temp. ]

Refrigerator
[solubility ]

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

Solid
[pka]

14.57±0.10(Predicted)
[color ]

White Low Melting
[Usage]

A intermediate in the synthesis of Carisoprodol
[BRN ]

1734432
[InChI]

InChI=1S/C7H16O2/c1-3-4-7(2,5-8)6-9/h8-9H,3-6H2,1-2H3
[InChIKey]

JVZZUPJFERSVRN-UHFFFAOYSA-N
[SMILES]

C(O)C(C)(CCC)CO
[CAS DataBase Reference]

78-26-2(CAS DataBase Reference)
[NIST Chemistry Reference]

1,3-Propanediol, 2-methyl-2-propyl-(78-26-2)
[EPA Substance Registry System]

78-26-2(EPA Substance)
Questions And AnswerBack Directory
[Synthesis]

2-Methyl-2-pentenal was hydrogenated at 100°C and 1.3-1.5MPa with a yield of 80%. After obtaining 2-methylpentenal, it was added to 36% formaldehyde, and the reaction was carried out at room temperature. Sodium hydroxide solution was added dropwise. The reaction was exothermic, and the temperature was naturally raised to 70 °C, then heated to 90 °C, added for 1 h, cooled to 60 °C and left to separate layers. The upper layer was washed with water, the washings were combined with the lower layer, and extracted with benzene. The extract and the upper layer were combined, and benzene was recovered by distillation, followed by distillation under reduced pressure to collect a fraction at 160°C (14.7kPa), which was 2-methyl-2-propyl-1,3-propanediol,yield 93%.
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P264-P270-P301+P312+P330-P501
[Hazard Codes ]

Xn
[Risk Statements ]

R36:Irritating to the eyes.
R22:Harmful if swallowed.
[Safety Statements ]

S22: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 Germany ]

1
[RTECS ]

TY9386000
[TSCA ]

TSCA listed
[REACH Registrations]

Active
[HS Code ]

2905399590
[Storage Class]

11 - Combustible Solids
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Methyl valeraldehyde
[Preparation Products]

Carisoprodol-->2-methyl-2-propylpropane-1,3-diyl dinitrate
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2,2-Bis(hydroxymethyl)pentane(78-26-2).msds
Hazard InformationBack Directory
[Description]

2-Methyl-2-propyl-1,3-propanediol is produced either by the salt-free procedure based on aldol addition followed by hydrogenation or by the classical combination of hydroxymethylation and Cannizzaro-type disproportionation with formaldehyde. The production costs are considerably higher than for neopentyl glycol, because the synthesis of 2-methylpentanal from propanal requires two additional steps: aldol condensation and hydrogenation.
[Chemical Properties]

Whgite Crystalline Solid
[Uses]

A intermediate in the synthesis of Carisoprodol
Spectrum DetailBack Directory
[Spectrum Detail]

2-Methyl-2-propyl-1,3-propanediol(78-26-2)MS
2-Methyl-2-propyl-1,3-propanediol(78-26-2)1HNMR
2-Methyl-2-propyl-1,3-propanediol(78-26-2)13CNMR
2-Methyl-2-propyl-1,3-propanediol(78-26-2)IR1
2-Methyl-2-propyl-1,3-propanediol(78-26-2)IR2
2-Methyl-2-propyl-1,3-propanediol(78-26-2)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-Methyl-2-propyl-1,3-propanediol, 99%(78-26-2)
[Sigma Aldrich]

78-26-2(sigmaaldrich)
[TCI AMERICA]

2-Methyl-2-propyl-1,3-propanediol,>97.0%(GC)(78-26-2)
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