| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 6th, 2004 | 10 | Yes |
Popular Name: (1S)-(-)-alpha-Pinene (1S)-(-)-alpha-Pinene
Find On: PubMed — Wikipedia — Google
CAS Numbers: 7785-26-4 , 7785-70-8 , 80-56-8 , 80-56-8; 2437-95-8 , [2437-95-8]
(+-)-2-pinene; (+-)-alpha-pinene; 2-pinene; acintene A; alpha-pinene; pin-2(3)-ene
(-)-(1S,5S)-alpha-pinene; (-)-alpha-pinene; CPD-4892
(-)-alpha-Pinene, 98%, cont. variable amounts of enantiomer
(-)-alpha-Pinene; (1S,5S)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene; 7785-26-4; C06308
(1R)-(+)-alpha-Pinene, 98%, 80% ee
(1S)-2,6,6-trimethylbicyclo[3.1.1]hept-2-ene; (1S,5S)-alpha-pinene
(1S,5S)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene
2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 3.54 | 6.7 | -0.56 | 0 | 0 | 0 | 0 | 136.238 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 55 | Acros Organics |
| Mp [°C] | 62 | Acros Organics |
| Melting_Point | 62? | Alfa-Aesar |
| Melting_Point | 62° | Alfa-Aesar |
| Mp [°C] | 64 | Acros Organics |
| Melting_Point | 64? | Alfa-Aesar |
| Melting_Point | 64° | Alfa-Aesar |
| BP [°C] | 154 - 157 | Acros Organics |
| Boiling_Point | 154-156? | Alfa-Aesar |
| Boiling_Point | 154-156° | Alfa-Aesar |
| BP [°C] | 155 | Acros Organics |
| BP [°C] | 155 - 156 | Acros Organics |
| Purity | 99% | APIChem |
| UniProt Database Links | AMO_ARTAN; CP6B7_HELAM; GTPS_CITLI; GTPS_ORIVU; MIBS_STRCO; PT10_PINTA | ChEBI |
| H phrase | H304: May be fatal if swallowed and enters airways | Acros Organics |
| H phrase | H304: May be fatal if swallowed and enters airways; H317: May cause an allergic skin reaction; H332: Harmful if inhaled; H411: Toxic to aquatic life with long lasting effects; H315: Causes skin irritation; H319: Causes serious eye irritation; H226: Flamma | Acros Organics |
| H phrase | H319: Causes serious eye irritation | Acros Organics |
| H phrase | H319: Causes serious eye irritation; H315: Causes skin irritation; H302: Harmful if swallowed; H411: Toxic to aquatic life with long lasting effects; H304: May be fatal if swallowed and enters airways; H332: Harmful if inhaled; H317: May cause an allergic | Acros Organics |
| H phrase | H319: Causes serious eye irritation; H332: Harmful if inhaled; H302: Harmful if swallowed; H304: May be fatal if swallowed and enters airways; H315: Causes skin irritation; H411: Toxic to aquatic life with long lasting effects; H317: May cause an allergic | Acros Organics |
| P phrase | P280: Wear eye protection/face protection | Acros Organics |
| P phrase | P280: Wear eye protection/face protection; P301+ P310: IF SWALLOWED: Immediately call a POISON CENTRE or doctor/physician; P331: Do NOT induce vomiting; P273: Avoid release to the environment; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physi | Acros Organics |
| P phrase | P280: Wear eye protection/face protection; P301+ P310: IF SWALLOWED: Immediately call a POISON CENTRE or doctor/physician; P331: Do NOT induce vomiting; P273: Avoid release to the environment; P304 + P340: IF INHALED: Remove victim to fresh air and keep a | Acros Organics |
| UniProt Database Links | PINS_FRAVE; PT1_PINTA; PT30_PINTA; QH6_ARTAN; SCS_SALOF; TPS2_CANSA; TPSD2_PICSI; TPSD3_ABIGR; TPSDB_ABIGR | ChEBI |
| R phrase | R10: Flammable. | Acros Organics |
| R phrase | R10: Flammable.; R20: Harmful by inhalation.; R36/38: Irritating to eyes and skin.; R43: May cause sensitisation by skin contact.; R51/53: Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.; R65: Harmful: may cause | Acros Organics |
| S phrase | S16: Keep away from sources of ignition - No smoking. | Acros Organics |
| S phrase | S16: Keep away from sources of ignition - No smoking.; S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S29: Do not empty into drains.; S37/39: Wear suitable gloves and eye/face protection.; S61: Avoid re | Acros Organics |
| Patent Database Links | US2007184133; US2007292540; WO2007109804 | ChEBI |
| Hazard | XN: Harmful | Acros Organics |
| Hazard | XN: Harmful; N: Dangerous for the environment | Acros Organics |
