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2216-52-6

Basic Information
CAS No.: 2216-52-6
Name: (+)-NEOMENTHOL
Article Data: 118
Molecular Structure:
Molecular Structure of 2216-52-6 ((+)-NEOMENTHOL)
Formula: C10H20O
Molecular Weight: 156.268
Synonyms: Cyclohexanol,5-methyl-2-(1-methylethyl)-, [1S-(1a,2a,5b)]-;Menthol, (1R,3S,4S)-(+)- (8CI);(+)-Neomenthol;(+)-neo-Menthol;(1S,2S,5R)-Neomenthol;d-Neomenthol;
EINECS: 218-691-4
Density: 0.89g/cm3
Melting Point: ?22 °C(lit.)
Boiling Point: 215.383 °C at 760 mmHg
Flash Point: 93.333 °C
Solubility: 434mg/L at 25℃
Hazard Symbols: IrritantXi
Risk Codes: 37/38-41
Safety: 26-36
PSA: 20.23000
LogP: 2.43950
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Specification

The Cyclohexanol,5-methyl-2-(1-methylethyl)-, (1S,2S,5R)-, belongs to the following product categories: . (1)Biochemistry; (2)Monocyclic Monoterpenes; (3)Terpenes. It has the systematic name of 5-methyl-2-(propan-2-yl)cyclohexanol. And the chemical formula of this chemical is C10H20O.

Physical properties of Cyclohexanol,5-methyl-2-(1-methylethyl)-, (1S,2S,5R)-: (1)ACD/LogP: 3.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.216; (4)ACD/LogD (pH 7.4): 3.216; (5)ACD/BCF (pH 5.5): 163.88; (6)ACD/BCF (pH 7.4): 163.88; (7)ACD/KOC (pH 5.5): 1338.956; (8)ACD/KOC (pH 7.4): 1338.956; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 20.23 Å2; (13)Index of Refraction: 1.457; (14)Molar Refractivity: 47.833 cm3; (15)Molar Volume: 175.542 cm3; (16)Polarizability: 18.963×10-24cm3; (17)Surface Tension: 29.706 dyne/cm; (18)Density: 0.89 g/cm3; (19)Flash Point: 93.333 °C; (20)Enthalpy of Vaporization: 52.536 kJ/mol; (21)Boiling Point: 215.383 °C at 760 mmHg; (22)Vapour Pressure: 0.032 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Cyclohexanol,5-methyl-2-(1-methylethyl)-, (1S,2S,5R)- irritates to eyes, respiratory system and skin. And this chemical has risk of serious damage to the eyes. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: CC1CCC(C(C1)O)C(C)C
(2)InChI: InChI=1/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3
(3)InChIKey: NOOLISFMXDJSKH-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3
(5)Std. InChIKey: NOOLISFMXDJSKH-UHFFFAOYSA-N