Sabinene supplier | CasNO.3387-41-5

Name
SABINENE
EINECS 222-212-4
CAS No. 3387-41-5
Article Data6
CAS DataBase
Density 0.89 g/cm³
Solubility 5.03mg/L at 20℃
Melting Point
Formula C₁₀H₁₆
Boiling Point 163.999 °C at 760 mmHg
Molecular Weight 136.237
Flash Point 36.667 °C
Transport Information
Appearance
Safety 16-26-36/37/39
Risk Codes 10-36/37/38
Molecular Structure
Hazard Symbols R10-23/25:;
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;
PSA 0.00000
LogP 2.99870

Sabinene 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%.

Sabinene can be used to produce (+)-sabinene ozonide at the temperature of -45 °C

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

Product Name

SABINENE

Sabinene Specification

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