2,5-Dimethyl-2-hexanol

Basic Information

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CAS Number

3730-60-7

Molecular Formula

C8H18O

Molecular Weight

130.23 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

-61.15°C (estimate)

Boiling Point

74°C/20.3mmHg

Flash Point

52°C

Refractive Index

1.4220

SMILES

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CC(C)CCC(C)(C)O

InChI

InChI=1S/C8H18O/c1-7(2)5-6-8(3,4)9/h7,9H,5-6H2,1-4H3

InChIKey

JPUIYNHIEXIFMV-UHFFFAOYSA-N

LogP

2.1935000000000007

Topological Polar Surface Area

20.23 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

74.6

Safety Information

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GHS Hazard Pictograms

H226

Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

Hazard Class

Class 3 Class 3

Synonyms & References

English

2-Hexanol, 2,5-dimethyl-
3730-60-7
EN300-1839727
2,5-dimethyl-hexan-2-ol
JPUIYNHIEXIFMV-UHFFFAOYSA-N
FT-0610433
2,5-DIMETHYL-2-HEXANOL
D89960
10-HYDROXYDECYLBUTYRATE
2-Hexanol,5-dimethyl-, (S)-(+)-
2-Hexanol, 2,5-dimethyl-, (S)-(+)-
P68RFU77XE
NSC5594
SB83845
2-Hexanol, 2,5-dimethyl-, (S)-
DTXSID50190763
NS00030174
UNII-P68RFU77XE
2-Hexanol,5-dimethyl-, (S)-
LS-08702
MFCD00021814
D1968
EINECS 223-085-8
NSC-5594
NSC 5594
AKOS009159398
SCHEMBL1911360
2,5-Dimethylhexan-2-ol
2,5-Dimethyl-2-hexanol
Dimethyl isoamyl carbinol

MDL Number

MFCD00021814

Customs Code

2905199090

FAQ

What are the physical and chemical properties of 2,5-Dimethyl-2-hexanol (CAS: 3730-60-7)?

2,5-Dimethyl-2-hexanol is a colorless, volatile liquid with a strong odor. Its molecular weight is approximately 120.23 g/mol. It has a high solubility in ethanol and acetone but is insoluble in water. The compound is moderately reactive, particularly with strong acids and bases. It can form esters and ethers under certain conditions.

How is 2,5-Dimethyl-2-hexanol (CAS: 3730-60-7) typically synthesized?

2,5-Dimethyl-2-hexanol is commonly synthesized via the reduction of 2,5-dimethyl-2-hexanone using a hydrogenation catalyst such as Raney nickel. The reaction is highly selective and yields up to 98% of the desired alcohol. The process is carried out under pressure and at moderate temperatures, typically around 50°C.

What industries use 2,5-Dimethyl-2-hexanol (CAS: 3730-60-7)?

2,5-Dimethyl-2-hexanol finds applications in the pharmaceutical industry as an intermediate for the synthesis of drugs, in the polymer industry as a monomer, and in the fragrance industry for the production of perfumes and colognes. It also has uses in the sensor and semiconductor industries as a cleaning agent and in the production of related chemicals.

What precautions should be taken when handling 2,5-Dimethyl-2-hexanol (CAS: 3730-60-7)?

When handling 2,5-Dimethyl-2-hexanol, proper personal protective equipment (PPE) should be worn, including chemical-resistant gloves, safety goggles, and a lab coat. The compound should be stored in a cool, dry place away from heat sources and incompatible materials. Spills should be managed using appropriate absorbents, and the area should be ventilated. Always consult the Safety Data Sheet (SDS) for detailed handling instructions.