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Dihydropinene

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Name

Dihydropinene

EINECS 207-467-1
CAS No. 473-55-2 Density 0.844 g/cm3
PSA 0.00000 LogP 3.07860
Solubility Insoluble in water Melting Point <25℃
Formula C10H18 Boiling Point 157 °C at 760 mmHg
Molecular Weight 138.253 Flash Point 36 °C
Transport Information UN 2319 3/PG 3 Appearance Clear colorless liquid with lint-like particle
Safety 16 Risk Codes 10
Molecular Structure Molecular Structure of 473-55-2 (PINANE) Hazard Symbols N/A
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;

Article Data 62

Dihydropinene Specification

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

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