CAS No.38049-26-2,DIHYDROCARVEOL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	38049-26-2
Name:	DIHYDROCARVEOL
Article Data:	18

Formula:	C₁₀H₁₈O
Molecular Weight:	154.252
Synonyms:	(1S-(1α,2β,5α))-2-Methyl-5-(1-methylvinyl)cyclohexan-1-ol;(+)-Dihydrocarveol;Carveol, dihydro-;(1S,2S,4S)-Dihydrocarveol;Dihydrocarveol;p-Menth-8-en-2-ol;Cyclohexanol, 2-methyl-5-(1-methylethenyl)-, (1α,2β,5α)-;
EINECS:	253-755-5
Density:	0.912 g/cm³
Boiling Point:	225 °C at 760 mmHg
Flash Point:	91.7 °C
PSA:	20.23000
LogP:	2.35960

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Specification

The Cyclohexanol,2-methyl-5-(1-methylethenyl)-, (1R,2R,5R)-rel-, with the CAS registry number 38049-26-2, is also known as Cyclohexanol, 2-methyl-5-(1-methylethenyl)-, (1α,2β,5α)-. Its EINECS number is 253-755-5. This chemical's molecular formula is C₁₀H₁₈O and molecular weight is 154.25. What's more, its systematic name is (1S,2S,5S)-2-methyl-5-(prop-1-en-2-yl)cyclohexanol.

Physical properties of Cyclohexanol,2-methyl-5-(1-methylethenyl)-, (1R,2R,5R)-rel- are: (1)ACD/LogP: 2.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.92; (4)ACD/LogD (pH 7.4): 2.92; (5)ACD/BCF (pH 5.5): 96.69; (6)ACD/BCF (pH 7.4): 96.69; (7)ACD/KOC (pH 5.5): 917.83; (8)ACD/KOC (pH 7.4): 917.83; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.472; (14)Molar Refractivity: 47.34 cm³; (15)Molar Volume: 168.9 cm³; (16)Polarizability: 18.76×10^-24 cm³; (17)Surface Tension: 30.5 dyne/cm; (18)Density: 0.912 g/cm³; (19)Flash Point: 91.7 °C; (20)Enthalpy of Vaporization: 53.66 kJ/mol; (21)Boiling Point: 225 °C at 760 mmHg; (22)Vapour Pressure: 0.0177 mmHg at 25°C.

Preparation: this chemical can be prepared by (S)-p-mentha-6,8-dien-2-one at the ambient temperature. This reaction will need reagents Li, NH₃, t-BuOH and solvent diethyl ether with the reaction time of 0.5 hours. The yield is about 80%.

(1R)-cis-p-menth-8-en-2-one, Cyclohexanol,2-methyl-5-(1-methylethenyl)-, (1R,2R,5R)-rel- and (3S,6S)-3-isopropenyl-6-methylcyclohexanol can be prepared by (S)-p-mentha-6,8-dien-2-one.

Uses of Cyclohexanol,2-methyl-5-(1-methylethenyl)-, (1R,2R,5R)-rel-: it can be used to produce (3S,6S)-3-isopropenyl-6-methylcyclohexanol at the temperature of -70 °C. It will need reagent Dibal-H and solvent toluene with the reaction time of 2 hours. The yield is about 92%.

Cyclohexanol,2-methyl-5-(1-methylethenyl)-, (1R,2R,5R)-rel- can be used to produce (3S,6S)-3-isopropenyl-6-methylcyclohexanol.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O[C@H]1C[C@@H](/C(=C)C)CC[C@@H]1C
(2)InChI: InChI=1/C10H18O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-11H,1,4-6H2,2-3H3/t8-,9-,10-/m0/s1
(3)InChIKey: KRCZYMFUWVJCLI-GUBZILKMBT