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| CAS No.: | 58985-18-5 |
|---|---|
| Name: | Dihydroterpinyl acetate |
| Molecular Structure: | |
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| Formula: | C12H22O2 |
| Molecular Weight: | 198.3019 |
| Synonyms: | Menthanyl acetate;p-8-Menthanyl acetate;2-(4-methylcyclohexyl)propan-2-yl acetate;Terpineol, dihydro-, acetate;p-Menthan-8-yl acetate; |
| EINECS: | 261-543-9 |
| Density: | 0.932 g/cm3 |
| Boiling Point: | 222.2 °C at 760 mmHg |
| Flash Point: | 87 °C |
| Appearance: | pale yellow clear liquid |
| PSA: | 37.30000 |
| LogP: | 3.31360 |
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Specification
The Dihydroterpinyl acetate, with the CAS registry number of 58985-18-5, is also known as p-Menthan-8-yl acetate. Its EINECS registry number is 261-543-9. This chemical's molecular formula is C12H22O2 and molecular weight is 198.3. What's more, its IUPAC name is 2-(4-Methylcyclohexyl)propan-2-yl acetate.
Physical properties about Dihydroterpinyl acetate are: (1)ACD/LogP: 3.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.96; (4)ACD/LogD (pH 7.4): 3.96; (5)ACD/BCF (pH 5.5): 598.75; (6)ACD/BCF (pH 7.4): 598.75; (7)ACD/KOC (pH 5.5): 3384.98; (8)ACD/KOC (pH 7.4): 3384.98; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.448; (14)Molar Refractivity: 56.98 cm3; (15)Molar Volume: 212.6 cm3; (16)Surface Tension: 30.2 dyne/cm; (17)Density: 0.932 g/cm3; (18)Flash Point: 87 °C; (19)Enthalpy of Vaporization: 45.87 kJ/mol; (20)Boiling Point: 222.2 °C at 760 mmHg; (21)Vapour Pressure: 0.103 mmHg at 25 °C.
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