3-methylcyclohexan-1-ol, Mixture of diastereomers

Basic Information

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CAS Number

591-23-1

Molecular Formula

C7H14O

Molecular Weight

114.19 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

36-37 ºC

Boiling Point

175-176 ºC

Flash Point

62.8±0.0 ºC,

Refractive Index

1.46754 (20 ºC)

SMILES

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CC1CCCC(C1)O

InChI

InChI=1S/C7H14O/c1-6-3-2-4-7(8)5-6/h6-8H,2-5H2,1H3

InChIKey

HTSABYAWKQAHBT-UHFFFAOYSA-N

LogP

1.5574

Topological Polar Surface Area

20.23 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

70.8

Safety Information

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Hazard Statement

H227 Combustible liquid
Flammable liquids

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H336 May cause drowsiness or dizziness
Specific target organ toxicity, single exposure; Narcotic effects

Explosive Limit

1.3%(V)

Synonyms & References

English

SB83895
3-Methylcyclohexanol,cAMP t
EN300-20722
3-Methyl-cis-Cyclohexanol
AB86143
3-Methylhexalin
(1R,3R)-3-methylcyclohexan-1-ol
AI3-01176
NSC123022
24965-90-0
Cyclohexanol, 3-methyl-
Hexahydro-m-cresol
3-methylcyclohexan-1-ol
3-Methylcyclohexanol,c&t
trans-3-Methylcyclohexanol
3-methyl-cyclohexanol
EINECS 209-709-1
AKOS000120099
BRN 2036372
F8889-6462
3-METHYLCYCLOHEXANOL
BDBM36192
NSC-123022
NS00043582
Q2595963
CHEBI:195740
LLD7V459JM
MFCD00001446
SCHEMBL181397
M0195
3-06-00-00069 (Beilstein Handbook Reference)

MDL Number

MFCD00001446

FAQ

What are the physical and chemical properties of 3-methylcyclohexan-1-ol, Mixture of diastereomers (CAS: 591-23-1)?

3-methylcyclohexan-1-ol, Mixture of diastereomers (CAS: 591-23-1) is a colorless to pale yellow liquid with a molecular weight of approximately 120.21 g/mol. It has a specific gravity of 0.889 g/cm³ and a boiling point of 150-155°C. The compound is slightly soluble in water but miscible with most organic solvents. It is a chiral compound, exhibiting reactivity typical of alcohol functionalities, including esterification and reduction reactions.

How is 3-methylcyclohexan-1-ol, Mixture of diastereomers (CAS: 591-23-1) typically synthesized?

3-methylcyclohexan-1-ol, Mixture of diastereomers (CAS: 591-23-1) can be synthesized through a combination of methods, including reduction of 3-methylcyclohexanone with a suitable reducing agent like sodium borohydride. Alternatively, it can be produced by hydrogenation of the corresponding ketone with a hydrogenation catalyst such as Raney nickel. The choice of method can affect the yield, purity, and diastereomeric ratio of the product.

What industries use 3-methylcyclohexan-1-ol, Mixture of diastereomers (CAS: 591-23-1)?

3-methylcyclohexan-1-ol, Mixture of diastereomers (CAS: 591-23-1) is utilized in various industries, including pharmaceuticals, where it serves as a precursor in the synthesis of certain drugs. It is also used in the production of polymer additives, where its reactive properties can enhance material performance. Additionally, it finds applications in the formulation of aroma compounds and as a solvent in analytical chemistry.

What precautions should be taken when handling 3-methylcyclohexan-1-ol, Mixture of diastereomers (CAS: 591-23-1)?

When handling 3-methylcyclohexan-1-ol, Mixture of diastereomers (CAS: 591-23-1), it is essential to wear appropriate personal protective equipment (PPE), including safety goggles, gloves, and a lab coat. Ensure that the work is performed in a well-ventilated area or under a fume hood. Spills should be cleaned up immediately using appropriate absorbent materials. Refer to the Safety Data Sheet (SDS) for detailed emergency procedures and disposal guidelines. Always follow good laboratory practices to minimize risk.