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Basic information

  • Name:

  • Cyclohexanol,5-methyl-2-(1-methylethyl)-, 1-acetate, (1R,2S,5R)-rel-

  • Superlist Name:
  • Menthyl acetate
  • CAS No.:

  • 89-48-5

  • Formula:
  • C12H22O2
  • Synonyms:
  • Cyclohexanol,5-methyl-2-(1-methylethyl)-, acetate, (1R,2S,5R)-rel- (9CI);Cyclohexanol, 5-methyl-2-(1-methylethyl)-,acetate, (1a,2b,5a)-;Menthol, acetate, cis-1,3,trans-1,4- (8CI);(?à)-Menthol acetate;(?à)-Menthyl acetate;Menthylacetate;dl-Menthyl acetate;

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Specification

The CAS register number of Menthyl acetate is 89-48-5. It also can be called as 1-Isopropyl-4-methylcyclohex-2-yl acetate and the IUPAC name about this chemical is (5-methyl-2-propan-2-ylcyclohexyl) acetate. The molecular formula about this chemical is C12H22O2 and the molecular weight is 198.30. It belongs to the following product categories which include C12 to C63; Carbonyl Compounds; Esters and so on. This chemical is a natural monoterpene which contributes to the smell and flavor of peppermint. This chemical can be isolated from Pepper-like peppermint oil.

Physical properties about Menthyl acetate are: (1)ACD/LogP: 3.96; (2)ACD/LogD (pH 5.5): 3.96; (3)ACD/LogD (pH 7.4): 3.96; (4)ACD/BCF (pH 5.5): 598.75; (5)ACD/BCF (pH 7.4): 598.75; (6)ACD/KOC (pH 5.5): 3384.98; (7)ACD/KOC (pH 7.4): 3384.98; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 26.3Å2; (11)Index of Refraction: 1.448; (12)Molar Refractivity: 56.98 cm3; (13)Molar Volume: 212.6 cm3; (14)Polarizability: 22.58x10-24cm3; (15)Surface Tension: 30.2 dyne/cm; (16)Enthalpy of Vaporization: 45.87 kJ/mol; (17)Boiling Point: 222.2 °C at 760 mmHg; (18)Vapour Pressure: 0.103 mmHg at 25°C.

Preparation: this chemical can be prepared by acetic acid ethyl ester and (+/-)-menthyloxytrimethylsilane at heating. This reaction will need reagent TiCl4. The reaction time is 1.3 hour(s). The yield is about 78%.

Uses of Menthyl acetate: it can be used to produce p-menthane and p-menthan-3-o. This reaction will need reagent sodium and solvent diethyl ether, 2-methyl-propan-2-ol, hexamethylphosphoric acid triamide. The yield is about 35%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C1CCC(CC1)C)C
(2)InChI: InChI=1/C12H22O2/c1-9-5-7-11(8-6-9)12(3,4)14-10(2)13/h9,11H,5-8H2,1-4H3
(3)InChIKey: HBNHCGDYYBMKJN-UHFFFAOYAL
4)Std. InChI: InChI=1S/C12H22O2/c1-9-5-7-11(8-6-9)12(3,4)14-10(2)13/h9,11H,5-8H2,1-4H3
(5)Std. InChIKey: HBNHCGDYYBMKJN-UHFFFAOYSA-N

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