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| CAS No.: | 127-91-3 |
|---|---|
| Name: | beta-Pinene |
| Molecular Structure: | |
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|
|
| Formula: | C10H16 |
| Molecular Weight: | 136.237 |
| Synonyms: | 6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptane;2(10)-Pinene(8CI);Pseudopinen;Pseudopinene;NSC 21447;NSC 406265;NSC 59190;Nopinen;Nopinene;PC 600;Terebenthene;b-Pinene;beta-Pinene; |
| EINECS: | 204-872-5 |
| Density: | 0.88 g/cm3 |
| Melting Point: | -61 °C |
| Boiling Point: | 166 °C at 760 mmHg |
| Flash Point: | 34.9 °C |
| Solubility: | Insoluble in water, soluble in ethanol |
| Appearance: | Colorless transparent oily liquid |
| Hazard Symbols: | R10:Flammable.; R36/37/38:Irritating to eyes, respiratory system and skin.; |
| Risk Codes: | 10 |
| Safety: | 16 |
| PSA: | 0.00000 |
| LogP: | 2.99870 |
- 144851-82-1METHYL2-AMINO-3-FLUOROBENZOATE
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- 5156-58-1N-(1-Benzyl-4-pipperidinyl)-N-phenylpropanamide HCl
- 81281-59-67-Benzylideneaminotheophylline
- 50288-62-5threo-Phenyl-2-piperidyl acetamide
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 47087-37-6Z-D-Glu-OMe
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 74946-99-9
Diethyl (+)-Myrtene-10-phosphonate
- 127-91-3
(1R,5R)-(+)-β-pinene
| Conditions | Yield |
|---|---|
| With lithium aluminium tetrahydride In diethyl ether at 0℃; for 4h; | 93% |
- 18680-26-7
pinane-2β,10-diol
- 127-91-3
(1R,5R)-(+)-β-pinene
| Conditions | Yield |
|---|---|
| With bis(cyclopentadienyl)titanium dichloride; manganese In tetrahydrofuran for 1.5h; Inert atmosphere; Reflux; | 92% |
| Conditions | Yield |
|---|---|
| Stage #1: (+)-α-pinene With n-butyllithium; potassium tert-butylate In hexane at -78 - 20℃; for 45h; Stage #2: With Trimethyl borate In hexane at -78 - 20℃; Stage #3: With hydrogenchloride In hexane; water for 1h; | 73% |
| With selenium(IV) oxide; ethanol | |
| Yield given. Multistep reaction; | |
| Stage #1: (+)-α-pinene With n-butyllithium; potassium tert-butylate at -78 - 20℃; for 48h; Stage #2: With Trimethyl borate In diethyl ether at -78 - 20℃; for 1h; | |
| With borane |
- 7785-70-8
(+)-α-pinene
A
- 127-91-3
(1R,5R)-(+)-β-pinene
B
- 190715-28-7
6,6-dimethyl4-methylidenebicyclo[3.1.1]hept-2-ene
| Conditions | Yield |
|---|---|
| With selenium(IV) oxide; ethanol at 140 - 150℃; under 15 Torr; |
| Conditions | Yield |
|---|---|
| Yield given. Multistep reaction. Yields of byproduct given. Title compound not separated from byproducts; | |
| Yield given. Multistep reaction. Yields of byproduct given; |
- 127-91-3
(1R,5R)-(+)-β-pinene
| Conditions | Yield |
|---|---|
| With benzaldehyde 1.) triglyme, 130 deg C, 12 h; 2.) 165-175 deg C, 2h; Yield given. Multistep reaction; |
- 64-17-5
ethanol
- 23727-16-4
myrtenal
- 141-52-6
sodium ethanolate
- 7803-57-8
hydrazine hydrate
- 127-91-3
(1R,5R)-(+)-β-pinene
| Conditions | Yield |
|---|---|
| at 200℃; |
- 7446-08-4
selenium(IV) oxide
- 64-17-5
ethanol
- 7785-70-8
(+)-α-pinene
A
- 23727-16-4
myrtenal
B
- 127-91-3
(1R,5R)-(+)-β-pinene
C
- 6712-78-3
myrtenol
| Conditions | Yield |
|---|---|
| at 140 - 150℃; under 15 Torr; |
| Conditions | Yield |
|---|---|
| at 140 - 150℃; under 15 Torr; |
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Specification
The Pseudopinene with CAS registry number of 127-91-3 is also known as beta-Pinene. The IUPAC name is 6,6-Dimethyl-4-methylidenebicyclo[3.1.1]heptane. It belongs to product categories of Pharmaceutical Intermediates; Bicyclic Monoterpenes; Biochemistry; Terpenes; Flavor. Its EINECS registry number is 204-872-5. In addition, the formula is C10H16 and the molecular weight is 136.23. This chemical is a colorless transparent oily liquid and it is insoluble in water but soluble in ethanol. What's more, this chemical can be used for synthesis of a variety of spices and can be derived by fractionation of turpentine. During using it, keep away from sources of ignition as it is flammable.
Physical properties about Pseudopinene are: (1)ACD/LogP: 4.37; (2)ACD/LogD (pH 5.5): 4.37; (3)ACD/LogD (pH 7.4): 4.37; (4)ACD/BCF (pH 5.5): 1225.94; (5)ACD/BCF (pH 7.4): 1225.94; (6)ACD/KOC (pH 5.5): 5653.62; (7)ACD/KOC (pH 7.4): 5653.62; (8)Index of Refraction: 1.483; (9)Molar Refractivity: 43.76 cm3; (10)Molar Volume: 153 cm3; (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.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: CC1(C2CCC(=C)C1C2)C
2. InChI: InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3
3. InChIKey: WTARULDDTDQWMU-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LD50 | oral | 4700mg/kg (4700mg/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. 859, 1978. |