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| CAS No.: | 80-56-8 |
|---|---|
| Name: | alpha-Pinene |
| Molecular Structure: | |
|
|
|
| Formula: | C10H16 |
| Molecular Weight: | 136.237 |
| Synonyms: | 2,6,6-Trimethylbicyclo(3.1.1)-2-hept-2-ene;2-Pinene;DL-Pin-2(3)-ene;2,6,6-trimethylbicyclo[3.1.1]hept-2-ene; |
| EINECS: | 201-291-9 |
| Density: | 0.879 g/cm3 |
| Melting Point: | - 55°C |
| Boiling Point: | 157.883 °C at 760 mmHg |
| Flash Point: | 32.222 °C |
| Solubility: | insoluble in water |
| Appearance: | liquid with a turpentine odour |
| Hazard Symbols: |
 Xn;  N
|
| Risk Codes: | 10-36/37/38-51/53-65 |
| Safety: | 16-26-29-37/39-61 |
| Transport Information: | UN 2368 3/PG 3 |
| PSA: | 0.00000 |
| LogP: | 2.99870 |
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dithiocarbonic acid S-methyl ester-O-pinan-3-yl ester
A
- 74-93-1
methylthiol
B
- 463-58-1
carbon oxide sulfide
- 80-56-8
rac-α-pinene
| Conditions | Yield |
|---|---|
| at 170 - 190℃; pinocamphylxanthogenic acid methyl ester from inactive pinocampheol; |
| Conditions | Yield |
|---|---|
| at 125 - 130℃; levorotatory form; | |
| at 125 - 130℃; levorotatory form; |
- 127-91-3
(1R,5R)-(+)-β-pinene
A
- 99-86-5
1-methyl-4-isopropyl-1,3-cyclohexadiene
B
- 99-87-6
4-methylisopropylbenzene
C
- 99-85-4
crithmene
- 565-00-4
dl-camphene
- 80-56-8
rac-α-pinene
| Conditions | Yield |
|---|---|
| With pyridine; hydrogen; platinum-alumina(0.6 percentPt) at 300℃; for 0.79h; Product distribution; effects of partial pressures of N2, H2, pyridine; |
- 127-91-3
(1R,5R)-(+)-β-pinene
A
- 99-86-5
1-methyl-4-isopropyl-1,3-cyclohexadiene
B
- 99-87-6
4-methylisopropylbenzene
- 80-56-8
rac-α-pinene
| Conditions | Yield |
|---|---|
| With hydrogen; platinum-alumina(0.6 percent Pt) at 300℃; Yield given; |
| Conditions | Yield |
|---|---|
| at 160℃; levorotatory form; |
| Conditions | Yield |
|---|---|
| dl-camphene; |
A
- 24031-99-0
(-)-trans-δ-pinene
- 80-56-8
rac-α-pinene
| Conditions | Yield |
|---|---|
| With ethanol; mercury(II) oxide |
| Conditions | Yield |
|---|---|
| With hydrogen; di-μ-acetato-bis(η4-1,5-cyclooctadiene)dirhodium(I) In benzene at 120℃; under 67505.4 Torr; for 4h; |
| Conditions | Yield |
|---|---|
| With hydrogen; di-μ-acetato-bis(η4-1,5-cyclooctadiene)dirhodium(I) In benzene at 100℃; under 67505.4 Torr; for 4h; Product distribution; Further Variations:; Reagents; Temperatures; | |
| With hydrogen; 1,2-bis-(diphenylphosphino)ethane; di-μ-acetato-bis(η4-1,5-cyclooctadiene)dirhodium(I) In benzene at 100℃; under 67505.4 Torr; for 4h; |
| Conditions | Yield |
|---|---|
| di-μ-acetato-bis(η4-1,5-cyclooctadiene)dirhodium(I) In benzene-d6 at 100℃; under 67505.4 Torr; for 4h; |
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- Total:29 Page 1 of 1 1
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Consensus Reports
Standards and Recommendations
ACGIH TLV: TWA 20 ppm (sensitizer); Not Classifiable as a Human Carcinogen
Specification
The 2-Pinene, with the CAS registry number 80-56-8 and EINECS registry number 201-291-9, has the systematic name of 2,6,6-trimethylbicyclo[3.1.1]hept-2-ene. And the molecular formula of this chemical is C10H16. It is a kind of liquid with a turpentine odour, and belongs to the following product categories: Alkenes; Cyclic; Organic Building Blocks.
The 2-Pinene is an organic compound of the terpene class, one of two isomers of pinene. It is an alkene and it contains a reactive four-membered ring. It is found the oils of many species of many coniferous trees, notably the pine. It is also found in the essential oil of rosemary (Rosmarinus officinalis).
The physical properties of 2-Pinene are as following: (1)ACD/LogP: 4.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.321; (4)ACD/LogD (pH 7.4): 4.321; (5)ACD/BCF (pH 5.5): 1131.583; (6)ACD/BCF (pH 7.4): 1131.583; (7)ACD/KOC (pH 5.5): 5338.61; (8)ACD/KOC (pH 7.4): 5338.61; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.479; (14)Molar Refractivity: 43.964 cm3; (15)Molar Volume: 154.905 cm3; (16)Polarizability: 17.429×10-24cm3; (17)Surface Tension: 25.341 dyne/cm; (18)Density: 0.879 g/cm3; (19)Flash Point: 32.222 °C; (20)Enthalpy of Vaporization: 37.831 kJ/mol; (21)Boiling Point: 157.883 °C at 760 mmHg; (22)Vapour Pressure: 3.489 mmHg at 25°C.
Preparation and uses of 2-Pinene: It can be obtained by the fractionation of Turpentine. And it is often used as the raw material of terpineol, linalool and sandal flavor. It is also used in perfume and deodorant. What's more, it is used in manufacture of camphor, insecticides, solvents, plasticizers, perfume bases, synthetic pine oil.
You should be cautious while dealing with this chemical. It is a kind of flammable chemical, and it irritates eyes, respiratory system and skin. It may cause sensitization by skin contact, and lung damage if swallowed. What's more, it is toxic to aquatic organisms, and may cause long-term adverse effects in the aquatic environment. Therefore, you had better take the following instructions: Wear suitable gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; Keep away from sources of ignition - No smoking; Do not empty into drains; Avoid release to the environment. Refer to special instructions safety data sheet.
You can still convert the following datas into molecular structure:
(1)SMILES: CC1=CCC2CC1C2(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
(3)InChIKey: GRWFGVWFFZKLTI-UHFFFAOYAF
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| guinea pig | LCLo | inhalation | 572ug/m3 (0.572mg/m3) | BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Food and Cosmetics Toxicology. Vol. 16, Pg. 853, 1978. |
| mouse | LD | intraperitoneal | > 500mg/kg (500mg/kg) | "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 4, Pg. 232, 1952. | |
| rat | LCLo | inhalation | 625ug/m3 (0.625mg/m3) | BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Food and Cosmetics Toxicology. Vol. 16, Pg. 853, 1978. |
| rat | LD50 | oral | 3700mg/kg (3700mg/kg) | BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Food and Cosmetics Toxicology. Vol. 16, Pg. 853, 1978. |