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| CAS No.: | 3387-41-5 |
|---|---|
| Name: | SABINENE |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C10H16 |
| Molecular Weight: | 136.237 |
| Synonyms: | 4(10)-Thujene(6CI,7CI,8CI);1-Isopropyl-4-methylenebicyclo[3.1.0]hexane;4-Methylene-1-(1-methylethyl)-bicyclo[3.1.0]hexane;NSC 407278;Sabenene;Sabinen;Sabinene;Thuj-4(10)-ene; |
| EINECS: | 222-212-4 |
| Density: | 0.89 g/cm3 |
| Boiling Point: | 163.999 °C at 760 mmHg |
| Flash Point: | 36.667 °C |
| Solubility: | 5.03mg/L at 20℃ |
| Hazard Symbols: | R10-23/25:; |
| Risk Codes: | 10-36/37/38 |
| Safety: | 16-26-36/37/39 |
| PSA: | 0.00000 |
| LogP: | 2.99870 |
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Specification
The Sabinene, with the CAS registry number 3387-41-5, is also known as 4-Methylene-1-(1-methylethyl)-bicyclo[3.1.0]hexane. Its EINECS number is 222-212-4. This chemical is a natural bicyclic monoterpene with the molecular formulais C10H16 and molecular weight is 136.23. What's more, its systematic name is 1-Isopropyl-4-methylenebicyclo[3.1.0]hexane. It is isolated from the essential oils of a variety of plants. Sabinene is one of the chemical compounds that contributes to the spiciness of black pepper and is a major constituent of carrot seed oil. It also occurs in tea tree oil at a low concentration.
Physical properties of Sabinene are: (1)ACD/LogP: 3.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.94; (4)ACD/LogD (pH 7.4): 3.94; (5)ACD/BCF (pH 5.5): 581.23; (6)ACD/BCF (pH 7.4): 581.23; (7)ACD/KOC (pH 5.5): 3313.77; (8)ACD/KOC (pH 7.4): 3313.77; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.484; (13)Molar Refractivity: 43.76 cm3; (14)Molar Volume: 153.074 cm3; (15)Polarizability: 17.348×10-24cm3; (16)Surface Tension: 27.05 dyne/cm; (17)Density: 0.89 g/cm3; (18)Flash Point: 36.667 °C; (19)Enthalpy of Vaporization: 38.405 kJ/mol; (20)Boiling Point: 163.999 °C at 760 mmHg; (21)Vapour Pressure: 2.63 mmHg at 25°C.
Uses of Sabinene: it can be used to produce (+)-sabinene ozonide at the temperature of -45 °C. It will need reagent O3 and solvent pentane. The yield is about 95%.
You can still convert the following datas into molecular structure:
(1)SMILES: C=C2\C1CC1(C(C)C)CC2
(2)Std. InChI: InChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h7,9H,3-6H2,1-2H3
(3)Std. InChIKey: NDVASEGYNIMXJL-UHFFFAOYSA-N