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| CAS No.: | 68956-56-9 |
|---|---|
| Name: | Dipentene |
| Molecular Structure: | |
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| Formula: | C10H16 |
| Molecular Weight: | 136.24 |
| Synonyms: | 1-Methyl-4-(1-methylethenyl)cyclohexene;a-Limonene;4-(1-methylethenyl)-1-methyl-cyclohexene;(4S)-1-Methyl-4-(prop-1-en-2-yl)cyclohexene;1,8-p-Mentadiene; |
| EINECS: | 273-309-3 |
| Density: | 0.834 g/cm3 |
| Melting Point: | -97oC @ 760 mm Hg |
| Boiling Point: | 175.44 °C at 760 mmHg |
| Flash Point: | 42.778 °C |
| Solubility: | 2.75mg/L at 20℃ |
| Appearance: | Clear liquid |
| Hazard Symbols: |
 Xi, Xn
|
| Risk Codes: | 10-38-43-50/53-65 |
| Safety: | 24-37-60-61-2 |
| Transport Information: | UN 2052 3/PG 3 |
| PSA: | 76.10000 |
| LogP: | 1.82580 |
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Specification
The Hydrocarbons, terpeneprocessing by-products, with the CAS registry number 68956-56-9, has the systematic name of 1-methyl-4-(prop-1-en-2-yl)cyclohexene. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C10H16.
The characteristics of Hydrocarbons, terpeneprocessing by-products are as followings: (1)ACD/LogP: 4.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.552; (4)ACD/LogD (pH 7.4): 4.552; (5)ACD/BCF (pH 5.5): 1697.618; (6)ACD/BCF (pH 7.4): 1697.618; (7)ACD/KOC (pH 5.5): 7137.022; (8)ACD/KOC (pH 7.4): 7137.022; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.468; (14)Molar Refractivity: 45.355 cm3; (15)Molar Volume: 163.264 cm3; (16)Polarizability: 17.98×10-24cm3; (17)Surface Tension: 25.873 dyne/cm; (18)Density: 0.834 g/cm3; (19)Flash Point: 42.778 °C; (20)Enthalpy of Vaporization: 39.486 kJ/mol; (21)Boiling Point: 175.44 °C at 760 mmHg; (22)Vapour Pressure: 1.541 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CC1=CCC(CC1)C(=C)C
(2)InChI: InChI=1/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3
(3)InChIKey: XMGQYMWWDOXHJM-UHFFFAOYAC