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| CAS No.: | 14602-86-9 |
|---|---|
| Name: | (-)-MENTHYL CHLOROFORMATE |
| Article Data: | 23 |
| Molecular Structure: | |
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| Formula: | C11H19ClO2 |
| Molecular Weight: | 218.724 |
| Synonyms: | Carbonochloridic acid, 5-methyl-2-(1-methylethyl)cyclohexyl ester, (1R-(1alpha,2beta,5alpha))-;Menthyl chloroformate;Chlorocarbonic acid (-)-menthyl ester;L-(-)-Menthylchloroformate;L-Menthoxy chloroformate;L-Menthyl chloroformate; |
| EINECS: | 672-624-7 |
| Density: | 1.046 g/cm3 |
| Boiling Point: | 233.9 °C at 760 mmHg |
| Flash Point: | 70 °C |
| Hazard Symbols: |
 T, N
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| Risk Codes: | 23-34-51/53 |
| Safety: | 26-36/37/39-45-61 |
| Transport Information: | UN 3277 6.1/PG 2 |
| PSA: | 26.30000 |
| LogP: | 3.82260 |
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Specification
The CAS register number of Carbonochloridic acid,(1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester is 14602-86-9. It also can be called as (1R)-(-)-Menthyl chloroformate and the IUPAC name about this chemical is (5-methyl-2-propan-2-ylcyclohexyl) carbonochloridate. The molecular formula about this chemical is C11H19ClO2 and the molecular weight is 218.72. It belongs to the following product categories, such as Chloroformates; Chiral; Biochemistry; for Resolution of Alcohols & Thiols; for Resolution of Bases; Monocyclic Monoterpenes; Optical Resolution; Synthetic Organic Chemistry; Terpenes and so on.
Physical properties about Carbonochloridic acid,(1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester are: (1)ACD/LogP: 4.83; (2)ACD/LogD (pH 5.5): 4.83; (3)ACD/LogD (pH 7.4): 4.83; (4)ACD/BCF (pH 5.5): 2766.25; (5)ACD/BCF (pH 7.4): 2766.25; (6)ACD/KOC (pH 5.5): 10122.82; (7)ACD/KOC (pH 7.4): 10122.82; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 26.3Å2; (11)Index of Refraction: 1.462; (12)Molar Refractivity: 57.53 cm3; (13)Molar Volume: 209 cm3; (14)Polarizability: 22.8x10-24cm3; (15)Surface Tension: 32 dyne/cm; (16)Flash Point: 70 °C; (17)Enthalpy of Vaporization: 47.06 kJ/mol; (18)Boiling Point: 233.9 °C at 760 mmHg; (19)Vapour Pressure: 0.0546 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment, it is toxic by inhalation and it can causes burns. When you are using it, wear suitable protective clothing, gloves and eye/face protection, please avoid release to the environment. Refer to special instructions / safety data sheets. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice and in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Cl)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C
(2)InChI: InChI=1/C11H19ClO2/c1-7(2)9-5-4-8(3)6-10(9)14-11(12)13/h7-10H,4-6H2,1-3H3/t8-,9-,10+/m0/s1
(3)InChIKey: KIUPCUCGVCGPPA-LPEHRKFABP
(4)Std. InChI: InChI=1S/C11H19ClO2/c1-7(2)9-5-4-8(3)6-10(9)14-11(12)13/h7-10H,4-6H2,1-3H3/t8-,9-,10+/m0/s1
(5)Std. InChIKey: KIUPCUCGVCGPPA-LPEHRKFASA-N