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CAS No.: | 473-55-2 |
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Name: | PINANE |
Article Data: | 62 |
Molecular Structure: | |
Formula: | C10H18 |
Molecular Weight: | 138.253 |
Synonyms: | 1a,2b,5a-2,6,6-Trimethylbicyclo(3.1.1)heptane;2,6,6-Trimethylbicyclo(3.1.1)heptane;HSDB 5664;NSC 76674;Pinane; |
EINECS: | 207-467-1 |
Density: | 0.844 g/cm3 |
Melting Point: | <25℃ |
Boiling Point: | 157 °C at 760 mmHg |
Flash Point: | 36 °C |
Solubility: | Insoluble in water |
Appearance: | Clear colorless liquid with lint-like particle |
Risk Codes: | 10 |
Safety: | 16 |
Transport Information: | UN 2319 3/PG 3 |
PSA: | 0.00000 |
LogP: | 3.07860 |
The Bicyclo(3.1.1)heptane, 2,6,6-trimethyl- with CAS registry number of 473-55-2 is also known as Dihydropinene. The IUPAC name is 4,6,6-Trimethylbicyclo[3.1.1]heptane. Its EINECS registry number is 207-467-1. In addition, the formula is C10H18 and the molecular weight is 138.25. This chemical is a clear colorless liquid with lint-like particle and should be sealed in ventilated and dry place away from oxidants. What's more, it can be used as raw material for synthesis of fragrances and high vitamin A, E, K. As this chemical is flammable, keep away from sources of ignition when using it.
Physical properties about Bicyclo(3.1.1)heptane, 2,6,6-trimethyl- are: (1)ACD/LogP: 4.77; (2)ACD/LogD (pH 5.5): 4.76; (3)ACD/LogD (pH 7.4): 4.76; (4)ACD/BCF (pH 5.5): 2460.71; (5)ACD/BCF (pH 7.4): 2460.71; (6)ACD/KOC (pH 5.5): 9309.3; (7)ACD/KOC (pH 7.4): 9309.3; (8)Index of Refraction: 1.454; (9)Molar Refractivity: 44.36 cm3; (10)Molar Volume: 163.6 cm3; (11)Surface Tension: 26.5 dyne/cm; (12)Density: 0.844 g/cm3; (13)Flash Point: 36 °C; (14)Enthalpy of Vaporization: 37.75 kJ/mol; (15)Boiling Point: 157 °C at 760 mmHg; (16)Vapour Pressure: 3.63 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
1. SMILES: CC2(C)C1CC2C(CC1)C
2. InChI: InChI=1/C10H18/c1-7-4-5-8-6-9(7)10(8,2)3/h7-9H,4-6H2,1-3H3
3. InChIKey: XOKSLPVRUOBDEW-UHFFFAOYAQ
4. Std. InChI: InChI=1S/C10H18/c1-7-4-5-8-6-9(7)10(8,2)3/h7-9H,4-6H2,1-3H3
5. Std. InChIKey: XOKSLPVRUOBDEW-UHFFFAOYSA-N