(1S)-(1)-beta-Pinene supplier

Name
(1S)-(1)-beta-Pinene
EINECS 242-060-2
CAS No. 18172-67-3
Article Data28
CAS DataBase
Density 0.88 g/cm³
Solubility insoluble in water
Melting Point -61 °C(lit.)
Formula C₁₀H₁₆
Boiling Point 166 °C at 760 mmHg
Molecular Weight 136.237
Flash Point 34.9 °C
Transport Information UN 2319 3/PG 3
Appearance clear colorless to pale yellow liquid
Safety 16-26-36/37-46-61-62
Risk Codes 10-20/21/22-36/37/38-43-51-65-51/53
Molecular Structure
Hazard Symbols Xi；N；Xn
Synonyms 2(10)-Pinene,(1S,5S)-(-)- (8CI);Bicyclo[3.1.1]heptane, 6,6-dimethyl-2-methylene-, (1S)-;(-)-(1S)-b-Pinene;(-)-(1S,5S)-b-Pinene;(-)-2(10)-Pinene;(-)-Nopinene;(-)-b-Pinene;(1S)-(-)-b-Pinene;(1S)-6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptane;(1S)-b-Pinene;(1S,5S)-6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptane;(S)-(-)-b-Pinene;(S)-b-Pinene;l-b-Pinene;
PSA 0.00000
LogP 2.99870

(1S)-(1)-beta-Pinene Specification

The Bicyclo[3.1.1]heptane,6,6-dimethyl-2-methylene-, (1S,5S)-, with the CAS registry number 18172-67-3 and EINECS registry number 242-060-2, has the systematic name of (1S,5S)-6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane. It is a kind of clear colorless to pale yellow liquid, and belongs to the product category of Industrial/Fine Chemicals. The molecular formula of the chemical is C₁₀H₁₆.

The characteristics of Bicyclo[3.1.1]heptane,6,6-dimethyl-2-methylene-, (1S,5S)- are as followings: (1)ACD/LogP: 4.37; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 0; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 0 Å²; (7)Index of Refraction: 1.483; (8)Molar Refractivity: 43.76 cm³; (9)Molar Volume: 153 cm³; (10)Polarizability: 17.34×10^-24cm³; (11)Surface Tension: 27 dyne/cm; (12)Density: 0.88 g/cm³; (13)Flash Point: 34.9 °C; (14)Enthalpy of Vaporization: 38.59 kJ/mol; (15)Boiling Point: 166 °C at 760 mmHg; (16)Vapour Pressure: 2.4 mmHg at 25°C.

Uses of Bicyclo[3.1.1]heptane,6,6-dimethyl-2-methylene-, (1S,5S)-: It can react with 2-methanesulfonyloxy-benzaldehyde to produce methanesulfonic acid 2-[(6,6-dimethyl-bicyclo[3.1.1]hept-2-en-2-yl)-acetyl]-phenyl ester. This reaction will need reagent Me₂AlCl, and the yield is about 90%.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: C1(=C)\[C@@H]2C[C@H](CC1)C2(C)C
(2)InChI: InChI=1/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3/t8-,9-/m0/s1
(3)InChIKey: WTARULDDTDQWMU-IUCAKERBBX

Product Name

(1S)-(1)-beta-Pinene

(1S)-(1)-beta-Pinene Specification

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