3-(4-Cyclohexylphenyl)-3-hydroxy-4-methylpentanoic acid

CAS

95711-60-7

Catalog Number

ACM95711607

Category

Other Products

Molecular Weight

290.397 g/mol

Molecular Formula

C₁₈H₂₆O₃

MSDS COA Spec Sheet

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Specification

Synonyms

Hydrocinnamic acid, p-cyclohexyl-beta-hydroxy-beta-isopropyl-, (+-)-, Benzenepropanoic acid, 4-cyclohexyl-beta-hydroxy-beta-(1-methylethyl)-, (+-)-, (+-)-p-Cyclohexyl-beta-hydroxy-beta-isopropylhydrocinnamic acid, 95711-60-7, AC1L227Z, CTK3I7800, LS-77165, 3-(4-cyclohexylphenyl)-3-hydroxy-4-methylpentanoic acid

IUPAC Name

3-(4-cyclohexylphenyl)-3-hydroxy-4-methylpentanoic acid

InChI Key

YKKFKTBNGFGSDR-UHFFFAOYSA-N

Boiling Point

457.3ºC at 760 mmHg

Flash Point

244.5ºC

Density

1.104g/cm³

Exact Mass

290.18800

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of the compound?

The molecular formula of the compound is C18H26O3.

What are the synonyms of the compound?

The synonyms of the compound are 95711-60-7 Hydrocinnamic acid, p-cyclohexyl-beta-hydroxy-beta-isopropyl-, (+-)- Benzenepropanoic acid, 4-cyclohexyl-beta-hydroxy-beta-(1-methylethyl)-, (+-)- (+-)-p-Cyclohexyl-beta-hydroxy-beta-isopropylhydrocinnamic acid.

What is the molecular weight of the compound?

The molecular weight of the compound is 290.4 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 3-(4-cyclohexylphenyl)-3-hydroxy-4-methylpentanoic acid.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C18H26O3/c1-13(2)18(21,12-17(19)20)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h8-11,13-14,21H,3-7,12H2,1-2H3,(H,19,20).

What is the InChIKey of the compound?

The InChIKey of the compound is YKKFKTBNGFGSDR-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is CC(C)C(CC(=O)O)(C1=CC=C(C=C1)C2CCCCC2)O.

What is the CAS number of the compound?

The CAS number of the compound is 95711-60-7.