CAS 3685-22-1 cis-4-Hydroxycyclohexanecarboxylic Acid

NAVIGATION

cis-4-Hydroxycyclohexanecarboxylic Acid

PRICE INQUIRY

Catalog Number

ACM3685221-2

CAS Number

3685-22-1

Product Name

cis-4-Hydroxycyclohexanecarboxylic Acid

Structure

Category

Liquid Crystal (LC) Building Blocks; Liquid Crystal (LC) Materials

Description

Solid

IUPAC Name

4-hydroxycyclohexane-1-carboxylic acid

Molecular Weight

144.16999999999999

Molecular Formula

C7H12O3

Canonical SMILES

C1CC(CCC1C(=O)O)O

InChI

InChI=1S/C7H12O3/c8-6-3-1-5(2-4-6)7(9)10/h5-6,8H,1-4H2,(H,9,10)

InChI Key

HCFRWBBJISAZNK-UHFFFAOYSA-N

Melting Point

150 °C

Purity

>98.0%(GC)(T)

Appearance

White to Almost white powder to crystal

Application

Cis-4-Hydroxycyclohexanecarboxylic acid is primarily used for its role as a metabolite derived from p-hydroxybenzoic acid. It appears as a white to almost white powder or crystal with a melting point ranging from 148.0 to 152.0 °C. This compound is notably the main metabolite found in the urine of rats administered with exogenous p-hydroxybenzoic acid. Its significance extends to biological research, where it demonstrates immunosuppressive properties in rat hepatocytes. Furthermore, it is studied for its potential links to metabolic disorders, particularly those associated with hyperglycemia or diabetes mellitus.

Complexity

125

Covalently-Bonded Unit Count

Exact Mass

144.078644g/mol

Formal Charge

Hazard Statements

H315 : Causes skin irritation.H319 : Causes serious eye irritation.

Heavy Atom Count

MDL Number

MFCD04038017

MeSH Entry Terms

4-HCHC;4-hydroxycyclohexanecarboxylic acid

Monoisotopic Mass

144.078644g/mol

Precautionary Statements

P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.

Rotatable Bond Count

Signal Word

Warning

XLogP3

0.3

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