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| CAS No.: | 16409-45-3 |
|---|---|
| Name: | L-MENTHYL ACETATE |
| Molecular Structure: | |
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| Formula: | C12H22O2 |
| Molecular Weight: | 198.305 |
| Synonyms: | Cyclohexanol,5-methyl-2-(1-methylethyl)-, acetate (9CI);Menthol, acetate (6CI,8CI);Aceticacid 5-methyl-2-(1-methylethyl)cyclohexyl ester;Menthyl acetate; |
| EINECS: | 220-076-0 |
| Density: | 0.927 g/cm3 |
| Melting Point: | <25 °C |
| Boiling Point: | 229.124 °C at 760 mmHg |
| Flash Point: | 92.222 °C |
| PSA: | 26.30000 |
| LogP: | 3.01030 |
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Chemistry
Molecular Structure of L-Menthyl acetate (CAS NO.16409-45-3):
EINECS: 240-459-6
IUPAC Name: (5-Methyl-2-propan-2-ylcyclohexyl) acetate
Molecular Formula: C12H22O2
Molecular Weight: 198.301880 g/mol
XLogP3-AA: 3.6
H-Bond Donor: 0
H-Bond Acceptor: 2
Canonical SMILES: CC1CCC(C(C1)OC(=O)C)C(C)C
InChI: InChI=1S/C12H22O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h8-9,11-12H,5-7H2,1-4H3
InChIKey: XHXUANMFYXWVNG-UHFFFAOYSA-N
Index of Refraction: 1.448
Molar Refractivity: 57.32 cm3
Molar Volume: 213.9 cm3
Surface Tension: 29.4 dyne/cm
Density: 0.92 g/cm3
Flash Point: 92.2 °C
Boiling Point: 229.1 °C at 760 mmHg
Enthalpy of Vaporization: 46.57 kJ/mol
Vapour Pressure: 0.0707 mmHg at 25 °C
Water Solubility: 17.13 mg/L at 25 °C
Refractive Index: n20/D 1.447(lit.)
Classification Code of L-Menthyl acetate (CAS NO.16409-45-3): Natural Product; Skin / Eye Irritant
Uses
It is a kind of spices, mainly used in the preparation of citrus flavor. In the United States it is mainly used in bakery and non-alcoholic beverages, chewing gum, candy, cold drinks, pickled foods.
Toxicity Data With Reference
| 1. | skn-rbt 500 mg/24H MLD | FCTXAV Food and Cosmetics Toxicology. 14 (1976),479. | ||
| 2. | orl-rat LD50:7620 mg/kg | FCTXAV Food and Cosmetics Toxicology. 14 (1976),477. |
Safety Profile
Safety Information of L-Menthyl acetate (CAS NO.16409-45-3):
WGK Germany: 3
RTECS: AI5900000
Mildly toxic by ingestion. A skin irritant. Combustible liquid. When heated to decomposition it emits acrid smoke and irritating fumes.
Specification
L-Menthyl acetate (CAS NO.16409-45-3) is colorless liquid with sweet rose fragrance, soluble in ethanol, the majority of non-volatile oil, mineral oil and propylene glycol, insoluble in glycerin and water . Menthyl acetate is also known as 5-Methyl-2-(1-methylethyl)cyclohexanol acetate ; AI3-36197 ; Acetic acid, p-menth-3-yl ester, dl- ; Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate ; FEMA Number 2668 ; HSDB 824 ; Menthol, acetate ; Menthyl acetate racemic ; Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate (8CI) ; Menthol, acetate (8CI) .