2-methyl-2-propylpropane-1,3-diol

Basic Information

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CAS Number

78-26-2

Molecular Formula

C7H16O2

Molecular Weight

132.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

56.0 to 60.0 deg-C

Boiling Point

230 °C/753 mmHg

Density

0.9744 (rough estimate)

Refractive Index

1.4474 (estimate)

SMILES

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CCCC(C)(CO)CO

InChI

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

InChIKey

JVZZUPJFERSVRN-UHFFFAOYSA-N

LogP

0.7773999999999999

Topological Polar Surface Area

40.46 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

67.3

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

MFCD00004696
FT-0671937
EC 201-099-5
2-Methyl-2-propyl-1,3-propanediol; bis(hydroxymethyl)pentane
NSC 26233
2-methyl-2-propyl-propane-1,3-diol;2-Methyl-2-propyl-1,3-propanediol
NSC-26233
78-26-2
D0766
1,3-Propanediol, 2-methyl-2-propyl-
AS-12828
NSC26233
2-methyl-2-propyl-1,3-dihydroxypropane
EN300-18227
InChI=1/C7H16O2/c1-3-4-7(2,5-8)6-9/h8-9H,3-6H2,1-2H
2,2-Dimethylol-pentane
AI3-24844
FT-0653241
AKOS002313504
Q26840853
A839382
NSC 26233, Carisoprodol impurity C
2-Methyl-2-propylpropane-1,3-diol; Carisoprodol Imp. C (EP); Carisoprodol Impurity C
W-104286
2-Methyl-2-n-propyl-1,3-propanediol
SCHEMBL41037
2-methyl-2-propyl-propane-1,3-diol
2-Methyl-2-propyl-1,3-propanediol
YLM5KRU0P4
2-methyl-2-propylpropan-1,3-diol
1, 2-methyl-2-propyl-

MDL Number

MFCD00004696

FAQ

What are the physical and chemical properties of 2-methyl-2-propylpropane-1,3-diol (CAS: 78-26-2)?

2-methyl-2-propylpropane-1,3-diol (CAS: 78-26-2) is a colorless, odorless liquid. It has a molecular weight of approximately 146.23 g/mol and a melting point of -58°C. It is slightly soluble in water and miscible with most organic solvents. It exhibits good reactivity towards acids and bases, and can form esters and ethers under certain conditions.

How is 2-methyl-2-propylpropane-1,3-diol (CAS: 78-26-2) typically synthesized?

2-methyl-2-propylpropane-1,3-diol is typically synthesized via the hydroxylation of 2-methyl-2-propylpropane-1,3-dione using hydrogen peroxide in the presence of a catalyst such as ferric chloride. The process involves a one-step reaction with high selectivity and yield.

What industries use 2-methyl-2-propylpropane-1,3-diol (CAS: 78-26-2)?

2-methyl-2-propylpropane-1,3-diol (CAS: 78-26-2) is used in the pharmaceutical industry for the synthesis of various organic compounds. It is also utilized in the polymer industry for the production of certain polymers and plasticizers. Additionally, it is used in the manufacturing of sensors and semiconductors due to its chemical reactivity and stability.

What precautions should be taken when handling 2-methyl-2-propylpropane-1,3-diol (CAS: 78-26-2)?

When handling 2-methyl-2-propylpropane-1,3-diol (CAS: 78-26-2), it is crucial to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Ensure proper ventilation and handle the compound in a fume hood. In case of spills, immediately clean up with appropriate absorbents and wash the area with water. Refer to the Safety Data Sheet (SDS) for detailed emergency procedures.