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| CAS No.: | 89-48-5 |
|---|---|
| Name: | Menthyl acetate |
| Article Data: | 70 |
| Molecular Structure: | |
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| Formula: | C12H22O2 |
| Molecular Weight: | 198.305 |
| 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; |
| EINECS: | 201-911-8 |
| Density: | 0.932 g/cm3 |
| Melting Point: | 37 - 38oC |
| Boiling Point: | 222.2 °C at 760 mmHg |
| Flash Point: | 87 °C |
| Solubility: | Insoluble in water |
| Hazard Symbols: | N |
| Risk Codes: | 51/53 |
| Safety: | 61 |
| PSA: | 26.30000 |
| LogP: | 3.01030 |
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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%.
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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