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| CAS No.: | 7785-26-4 |
|---|---|
| Name: | (1S)-(-)-alpha-Pinene |
| Article Data: | 33 |
| Molecular Structure: | |
|
|
|
| Formula: | C10H16 |
| Molecular Weight: | 136.237 |
| 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: |
 Xi, N, Xn
|
| 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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- 90221-55-92-bromo-5-methylbenzaldehyde
- 885590-99-82,3-DIFLUORO-4-IODOBENZALDEHYDE
- 97730-31-9(S)-4'-(2-Methylbutyl)Biphenyl-4-Carbonitrile
- 18172-67-3, 19902-08-0
beta-pinene
- 7785-26-4
(-)-α-pinene
| Conditions | Yield |
|---|---|
| With diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; (4s,6s)-2,4,5,6-tetra(9H-carbazol-9-yl)isophthalonitrile; potassium carbonate; cobalt(II) aceylacetonate In N,N-dimethyl-formamide at 25℃; for 16h; Irradiation; | 98% |
| With potassium hydride; Trimethylenediamine In mineral oil at 25℃; for 24.25h; Temperature; Inert atmosphere; | 93% |
| isomerization; | 86% |
- 7785-26-4
(-)-α-pinene
| Conditions | Yield |
|---|---|
| With boron trifluoride diethyl etherate; benzaldehyde at 100℃; for 1h; Inert atmosphere; | 95% |
| Conditions | Yield |
|---|---|
| With chloranil In dichloromethane; acetonitrile Irradiation; Yield given; | A n/a B n/a C 5% |
- 55527-89-4
(-)-myrtenyl bromide
- 7785-26-4
(-)-α-pinene
| Conditions | Yield |
|---|---|
| With lithium aluminium tetrahydride; diethyl ether |
| Conditions | Yield |
|---|---|
| Leiten des Dampfes durch Gelatine-Hydrosol; |
- 7647-01-0
hydrogenchloride
- 60-29-7
diethyl ether
- 35519-42-7
2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
A
- 7785-26-4
(-)-α-pinene
B
- 138-86-3
limonene.
| Conditions | Yield |
|---|---|
| Erwaermen des Reaktionsprodukts mit aethanol. Kalilauge; |
- 7647-01-0
hydrogenchloride
- 60-29-7
diethyl ether
- 35408-04-9
2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
A
- 7785-26-4
(-)-α-pinene
B
- 1195-77-3, 3372-12-1, 90976-73-1
(1S)-2-endo-chlorofenchane
C
- 138-86-3
limonene.
| Conditions | Yield |
|---|---|
| Erwaermen des Reaktionsprodukts mit aethanol. Kalilauge; |
| Conditions | Yield |
|---|---|
| at 150 - 170℃; under 0.07 Torr; |
- 201230-82-2
carbon monoxide
- 18172-67-3, 19902-08-0
beta-pinene
- 111-92-2
dibutylamine
A
- 7785-26-4
(-)-α-pinene
B
- 199445-88-0
2-(6,6-dimethylbicyclo[3.1.1]heptan-2-yl)acetaldehyde
D
- 1350552-88-3
C19H37N
| Conditions | Yield |
|---|---|
| With methoxy(cyclooctadiene)rhodium(I) dimer; hydrogen; triphenylphosphine In toluene at 100℃; under 45603.1 Torr; for 4h; Inert atmosphere; |
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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