3,5-Dimethylcyclohexanol

Basic Information

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CAS Number

5441-52-1

Molecular Formula

C8H16O

Molecular Weight

128.21 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

11-12 °C

Boiling Point

185-186 °C

Refractive Index

n20/D 1.455(lit.)<br />n20/D 1.455

SMILES

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CC1CC(CC(C1)O)C

InChI

InChI=1S/C8H16O/c1-6-3-7(2)5-8(9)4-6/h6-9H,3-5H2,1-2H3

InChIKey

WIYNOPYNRFPWNB-UHFFFAOYSA-N

LogP

1.8034

Topological Polar Surface Area

20.23 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

80.6

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Sensitiveness

Sensitive to air

Synonyms & References

English

5441-52-1
AM9723
(1.alpha.,3.alpha.,5.alpha.)-3,5-Dimethyl-cyclohexanol
BCP30899
5,5-Diethyl-6-methylsulfanyl-5H-pyrimidine-2,4-dione
D89705
(6Z)-5,5-Diethyl-3-methyl-6-[(Z)-methylimino]dihydro-2,4(1H,3H)-pyrimidinedione
3.5-Dimethylcyclohexanol
CS-0188357
Cyclohexanol, 3,5-dimethyl-
(1alpha,3alpha,5beta)-3,5-Dimethylcyclohexanol
Dimethyl 4-(4-hydroxyphenyl)-1-(tetrahydro-2-furanylmethyl)-1,4-dihydro-3,5-pyridinedicarboxylate
SCHEMBL961521
767-13-5
BS-28603
AB86515
Cyclohexanol,5-dimethyl-
EINECS 226-630-8
NSC-21130
FT-0692013
767-14-6
?-N-Benzylamino-L-Ala
NS00044477
(1alpha,3alpha,5alpha)-3,5-Dimethylcyclohexanol
1-(1-Adamantyl)-N-(1-naphthylmethyl)ethanamine
(1.beta.,3.alpha.,5.alpha.)-3,5-Dimethyl-cyclohexanol
3,5-dimethyl-cyclohexanol
SCHEMBL18754186
(1.alpha.,3.alpha.,5.beta.)-3,5-Dimethyl-cyclohexanol
Cyclohexanol, 3,5-dimethyl-;3,5-Dimethylcyclohexan-1-ol;Hexahydro-M-5-Xylenol
5,5-Diethyl-3-methyl-6-methylimino-dihydro-pyrimidine-2,4-dione

MDL Number

MFCD00001447

FAQ

What are the physical and chemical properties of 3,5-Dimethylcyclohexanol (CAS: 5441-52-1)?

3,5-Dimethylcyclohexanol (CAS: 5441-52-1) is a colorless liquid with a mild, characteristic odor. It has a molecular weight of 120.22 g/mol and a boiling point of 166-167°C. The compound is slightly soluble in water but miscible with ethanol and ether. It is less reactive than its unsaturated analogues but can undergo oxidation and dehydration reactions under certain conditions.

How is 3,5-Dimethylcyclohexanol (CAS: 5441-52-1) typically synthesized?

3,5-Dimethylcyclohexanol (CAS: 5441-52-1) is typically synthesized via reduction of 3,5-dimethylcyclohexanone using lithium aluminum hydride (LAH) as a reducing agent. This process involves careful handling to prevent the formation of the less desired 3,5-dimethylcyclohexene. The yield is generally high, around 85-95%, with high selectivity for the alcohol product.

What industries use 3,5-Dimethylcyclohexanol (CAS: 5441-52-1)?

3,5-Dimethylcyclohexanol (CAS: 5441-52-1) is used in various industries, including pharmaceuticals, where it serves as a precursor for the synthesis of certain drugs. It is also utilized in the production of polymers, particularly in the modification of epoxy resins, and in the manufacturing of fragrance and flavor compounds.

What precautions should be taken when handling 3,5-Dimethylcyclohexanol (CAS: 5441-52-1)?

When handling 3,5-Dimethylcyclohexanol (CAS: 5441-52-1), it is important to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and lab coats. The substance should be handled in a well-ventilated area or a fume hood to avoid inhalation. Spills should be cleaned up using appropriate methods as outlined in the safety data sheet (SDS). Proper storage in a cool, dry place, away from oxidizing agents, is also recommended to minimize the risk of reaction and fire.