CAS 3685-26-5 trans-4-Hydroxycyclohexanecarboxylic Acid

NAVIGATION

trans-4-Hydroxycyclohexanecarboxylic Acid

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Catalog Number

ACM3685265-2

CAS Number

3685-26-5

Product Name

trans-4-Hydroxycyclohexanecarboxylic Acid

Structure

Category

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

Synonyms

Trans-1-carboxy-4-hydroxycyclohexane

Description

Solid

IUPAC Name

4-Hydroxycyclohexane-1-carboxylic acid

Molecular Weight

144.17

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

Boiling Point

308 °C

Melting Point

145 °C

Flash Point

154.234 °C

Purity

98%

Density

1.246 g/cm³

Appearance

White to off-white solid

Application

trans-4-Hydroxycyclohexanecarboxylic Acid serves as an important compound, noted for its distinct physical characteristics as a white to almost white powder or crystals, with a melting point between 148.0 and 152.0 °C. It functions as a hydroxy monocarboxylic acid, closely related to cis-4-Hydroxycyclohexanecarboxylic acid, a metabolite of p-hydroxybenzoic acid discovered primarily in the urine of rats treated with exogenous p-hydroxybenzoic acid. This compound is of particular interest due to its immunosuppressive properties in rat hepatocytes, alongside its associations with metabolic disorders, including hyperglycemia and diabetes mellitus.

Storage

Sealed in dry, room temperature

Complexity

125

Covalently-Bonded Unit Count

Exact Mass

144.078644241

Formal Charge

Hazard Statements

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

Heavy Atom Count

MeSH Entry Terms

4-HCHC;4-hydroxycyclohexanecarboxylic acid

Monoisotopic Mass

144.078644241

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.

Refractive Index

1.523

Rotatable Bond Count

Signal Word

Warning

Topological Polar Surface Area

57.5 Å²

XLogP3

0.3

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