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| CAS No.: | 67874-72-0 |
|---|---|
| Name: | 2-TERTIARY PENTYL CYCLOHEXANYL ACETATE |
| Molecular Structure: | |
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| Formula: | C13H24O2 |
| Molecular Weight: | 212.332 |
| Synonyms: | Amylcyclohexyl acetate (mixed isomers);2-tert-Amylcyclohexylacetate;Coniferan;Cyclohexanol,2-(1,1-dimethylpropyl)-,acetate;2-tert-Pentylcyclohexyl acetate;[2-(2-methylbutan-2-yl)cyclohexyl] acetate;Cyclohexanol, 2-tert-pentyl-, acetate; |
| EINECS: | 267-500-0 |
| Density: | 0.92 g/cm3 |
| Boiling Point: | 239.6 °C at 760 mmHg |
| Flash Point: | 102.8 °C |
| Solubility: | 7.6mg/L at 24℃ |
| Appearance: | colorless liquid |
| PSA: | 26.30000 |
| LogP: | 3.54450 |
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Specification
This chemical is called 2-(1,1-Dimethylpropyl)cyclohexyl acetate, and its IUPAC name is [2-(2-methylbutan-2-yl)cyclohexyl] acetate. With the molecular formula of C13H24O2, its molecular weight is 212.3285. The CAS registry number of this chemical is 67874-72-0. Additionally, it has aroma of woody, sweet cream fat. It could be obtained by the Tert-amyl phenol. What's more, it's used as a soap flavor, detergent fragrance, perfume fragrance, flavor cream.
Other characteristics of the 2-(1,1-Dimethylpropyl)cyclohexyl acetate can be summarised as followings: (1)ACD/LogP: 4.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.49; (4)ACD/LogD (pH 7.4): 4.49; (5)ACD/BCF (pH 5.5): 1517.31; (6)ACD/BCF (pH 7.4): 1517.31; (7)ACD/KOC (pH 5.5): 6585.83; (8)ACD/KOC (pH 7.4): 6585.83; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.452; (14)Molar Refractivity: 62.01 cm3; (15)Molar Volume: 229.5 cm3; (16)Polarizability: 24.58×10-24cm3; (17)Surface Tension: 30.4 dyne/cm; (18)Density: 0.92 g/cm3; (19)Flash Point: 102.8 °C; (20)Enthalpy of Vaporization: 47.65 kJ/mol; (21)Boiling Point: 239.6 °C at 760 mmHg; (22)Vapour Pressure: 0.0398 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(OC1CCCCC1C(C)(C)CC)C
2.InChI: InChI=1/C13H24O2/c1-5-13(3,4)11-8-6-7-9-12(11)15-10(2)14/h11-12H,5-9H2,1-4H3
3.InChIKey: YEVACTAGDANHRH-UHFFFAOYAO