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7785-26-4

Basic Information
CAS No.: 7785-26-4
Name: (1S)-(-)-alpha-Pinene
Molecular Structure:
Molecular Structure of 7785-26-4 ((1S)-(-)-alpha-Pinene)
Formula: C10H16
Molecular Weight: 136.24
Synonyms: 2-Pinene,(1S,5S)-(-)- (8CI);Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (1S)-;(-)-(1S)-a-Pinene;(-)-2-Pinene;(-)-a-Pinene;(1S)-(-)-a-Pinene;(1S,5S)-(-)-a-Pinene;(S)-(-)-a-Pinene;1S-a-Pinene;l-a-Pinene;
EINECS: 232-077-3
Density: 0.879 g/cm3
Melting Point: -64 °C(lit.)
Boiling Point: 157.9 °C at 760 mmHg
Flash Point: 32.2 °C
Solubility: insoluble in water
Appearance: clear colourless liquid
Hazard Symbols: IrritantXi,DangerousN,HarmfulXn
Risk Codes: 10-36/37/38-43-50-65-51/53-20/21/22
Safety: 26-36/37-61-16-60
Transport Information: UN 2368 3/PG 3
PSA: 0.00000
LogP: 2.99870
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  • (1S)-(-)-α-Pinene

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  • α-pinene with high qulity

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  • CAS NO.:7785-26-4

  • Casno:

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    CAS NO.:7785-26-4

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Specification

The Bicyclo[3.1.1]hept-2-ene,2,6,6-trimethyl-, (1S,5S)-, with the CAS registry number 7785-26-4 and EINECS registry number 232-077-3, has the systematic name of (1S,5S)-2,6,6-trimethylbicyclo[3.1.1]hept-2-ene. It is a kind of clear colourless liquid, and belongs to the product categories: Industrial/Fine Chemicals; API intermediates; Bicyclic Monoterpenes; Biochemistry; Terpenes. The molecular formula of the chemical is C10H16.

The characteristics of Bicyclo[3.1.1]hept-2-ene,2,6,6-trimethyl-, (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: 1.479; (8)Molar Refractivity: 43.96 cm3; (9)Molar Volume: 154.9 cm3; (10)Polarizability: 17.42×10-24cm3; (11)Surface Tension: 25.3 dyne/cm; (12)Density: 0.879 g/cm3; (13)Flash Point: 32.2 °C; (14)Enthalpy of Vaporization: 37.83 kJ/mol; (15)Boiling Point: 157.9 °C at 760 mmHg; (16)Vapour Pressure: 3.49 mmHg at 25°C.

Uses of Bicyclo[3.1.1]hept-2-ene,2,6,6-trimethyl-, (1S,5S)-: It can be used to produce (1S,3R)-pin-2(10)-en-3-yl hydroperoxide. This reaction will need reagent methylene Blue, methylene Blue, isopropyl alcohol and oxygen.   

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: C\1=C(\[C@@H]2C[C@H](C/1)C2(C)C)C
(2)InChI: InChI=1/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9-/m0/s1
(3)InChIKey: GRWFGVWFFZKLTI-IUCAKERBBG