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(±)-(1alpha,2beta,5alpha)-2-(isopropyl)-5-methylcyclohexyl benzoate

(±)-(1alpha,2beta,5alpha)-2-(isopropyl)-5-methylcyclohexyl benzoate structure

CAS No:
38649-18-2
Formula:
C17H24O2
Chemical Name:
(±)-(1alpha,2beta,5alpha)-2-(isopropyl)-5-methylcyclohexyl benzoate
Synonyms:
(±)-(1alpha,2beta,5alpha)-2-(isopropyl)-5-methylcyclohexyl benzoate;rac-(1R*,3R*,4S*)-p-Menthane-3-ol benzoate;rac-Benzoic acid (1S*)-2β*-isopropyl-5α*-methylcyclohexane-1α*-yl ester;rac-Benzoic acid [(1R*,2S*,5R*)-2-isopropyl-5-methylcyclohexane-1-yl] ester;(±)-(1α,2β,5α)-2-(isopropyl)-5-methylcyclohexyl benzoate;()-(1α,2β,5α)-2-(isopropyl)-5-methylcyclohexyl benzoate

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(±)-(1alpha,2beta,5alpha)-2-(isopropyl)-5-methylcyclohexyl benzoate Basic Attributes

Molecular Weight：

260.37

Exact Mass：

260.37

EC Number：

254-061-5

NSC Number：

7335

TSCA：

TSCA listed

Characteristics

PSA：

26.3 Å²

Density：

1.01±0.1 g/cm3(Predicted)

Melting Point：

80-82 °C(Solv: ethanol (64-17-5))

Boiling Point：

341.1±11.0 °C(Predicted)

(±)-(1alpha,2beta,5alpha)-2-(isopropyl)-5-methylcyclohexyl benzoate Use and Manufacturing

Manufacturing Info：

Cyclohexanol, 5-methyl-2-(1-methylethyl)-, 1-benzoate, (1R,2S,5R)-rel-: ACTIVE

Computed Properties

Molecular Weight:260.4
XLogP3:5.3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:260.177630004
Monoisotopic Mass:260.177630004
Topological Polar Surface Area:26.3
Heavy Atom Count:19
Complexity:292
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (±)-(1alpha,2beta,5alpha)-2-(isopropyl)-5-methylcyclohexyl benzoate

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties
Learn More Other Chemicals

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