Methyl trans-4-(hydroxymethyl)cyclohexanecarboxylate

Basic Information

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CAS Number

110928-44-4

Molecular Formula

C9H16O3

Molecular Weight

172.22 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Physical Properties

Boiling Point

251 ºC

Flash Point

57 ºC

SMILES

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COC(=O)C1CCC(CC1)CO

InChI

InChI=1S/C9H16O3/c1-12-9(11)8-4-2-7(6-10)3-5-8/h7-8,10H,2-6H2,1H3/t7-,8-

InChIKey

KOGYKIDJFOMAOF-ZKCHVHJHSA-N

LogP

0.9581

Topological Polar Surface Area

46.53 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

148

Synonyms & References

English

Q27283613
AM20070447
M86577ODUE
D93334
R58V1A8V4H
FT-0688795
Cyclohexanecarboxylic acid, 4-(hydroxymethyl)-, methyl ester
(1r,4r)-methyl 4-(hydroxymethyl)cyclohexanecarboxylate
trans-4-hydroxymethyl-cyclohexanecarboxylic acid methyl ester
110928-44-4
DS-5562
METHYL TRANS-4-HYDROXYMETHYLCYCLOHEXANECARBOXYLATE
SCHEMBL408809
110928-45-5
AKOS015851380
methyl trans-4-(hydroxymethyl)cyclohexane-carboxylate
Methyl cis-4-(hydroxymethyl)cyclohexanecarboxylate
trans-4-(Methoxycarbonyl)cyclohexanemethanol
4-Hydroxymethylcyclohexanecarboxylic acid methyl ester
Cyclohexanecarboxylic acid, 4-(hydroxymethyl)-, methyl ester, trans-
EN300-396295
P10279
P15628
CS-0362764
CS-0150732
SB11024
Methyl 4-hydroxymethylcyclohexanecarboxylate, trans-
CS-D1138
trans-4-(Hydroxymethyl)cyclohexanecarboxylic acid methyl ester
SCHEMBL14450649
METHYLTRANS-4-HYDROXYMETHYLCYCLOHEXANECARBOXYLATE

MDL Number

MFCD03840884

FAQ

What are the physical and chemical properties of Methyl trans-4-(hydroxymethyl)cyclohexanecarboxylate (CAS: 110928-44-4)?

Methyl trans-4-(hydroxymethyl)cyclohexanecarboxylate (CAS: 110928-44-4) is a white crystalline solid with a molecular weight of approximately 218.26 g/mol. It is slightly soluble in water and more soluble in common organic solvents. This compound exhibits moderate reactivity, particularly towards nucleophiles and bases, making it useful in a variety of chemical reactions.

How is Methyl trans-4-(hydroxymethyl)cyclohexanecarboxylate (CAS: 110928-44-4) typically synthesized?

Methyl trans-4-(hydroxymethyl)cyclohexanecarboxylate (CAS: 110928-44-4) is typically synthesized via the reaction of trans-4-hydroxymethylcyclohexanone with methanol in the presence of a strong acid catalyst, such as hydrochloric acid. The reaction yields a mixture of isomers, with the trans isomer being the major product.

What industries use Methyl trans-4-(hydroxymethyl)cyclohexanecarboxylate (CAS: 110928-44-4)?

Methyl trans-4-(hydroxymethyl)cyclohexanecarboxylate (CAS: 110928-44-4) is used in the pharmaceutical, polymer, and sensor industries. It serves as a starting material for the synthesis of other compounds and is also used in the production of polymers and as a component in sensors for detecting specific chemical species.

What precautions should be taken when handling Methyl trans-4-(hydroxymethyl)cyclohexanecarboxylate (CAS: 110928-44-4)?

When handling Methyl trans-4-(hydroxymethyl)cyclohexanecarboxylate (CAS: 110928-44-4), it is important to wear appropriate personal protective equipment (PPE), such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be cleaned up immediately using appropriate absorbent materials, and proper disposal methods should be followed. For detailed safety information, refer to the Material Safety Data Sheet (MSDS/SDS).