| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 6th, 2004 | 11 | Yes |
Popular Name: Borneol Borneol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 124-76-5 , 405197-74-2 , 464-43-7 , 464-45-9 , 507-70-0 , [124-76-5] , [464-43-7]
(-)-Borneol; (1S,2R,4S)-(-)-Borneol; 464-45-9; C01766; L-Borneol; Linderol
(-)-Isoborneol;b-Camphol;FEMA 2158?;Isocamphol
1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, (1R,4R)- (9CI)
| 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) | 2.35 | 3.48 | -1.7 | 1 | 1 | 0 | 20 | 154.253 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 204 - 208 | Acros Organics |
| MP | 206 | TCI |
| Mp [°C] | 208 - 214 | Acros Organics |
| Melting_Point | 208-211? | Alfa-Aesar |
| Melting_Point | 208-211° | Alfa-Aesar |
| BP [°C] | 210 | Acros Organics |
| Boiling_Point | 210? | Alfa-Aesar |
| Boiling_Point | 210° | Alfa-Aesar |
| MP | 211 | TCI |
| Melting_Point | ca 210? subl. | Alfa-Aesar |
| Melting_Point | ca 210° subl. | Alfa-Aesar |
| PUBCHEM_PATENT_ID | EP0054431A1; EP0121284A2; EP0121284B1; EP0173142A2; EP0232742A1; EP0351382B1; EP0414200A2; EP0414200B1; EP0427168A1; EP0427168B1; EP0458363B1; EP0458643A2; EP0458643B1; EP0605637A1; EP0605637B1; EP0619141A1; EP0658533A1; EP0658533B1; EP0884314A2; EP101934 | IBM Patent Data |
| Patent Database Links | EP1506782; EP1514877; EP1552814; EP1666027; EP1679058; EP1700595; EP1741439; EP1762215; US2005256069; US2007184133; US2007224261; US2007225364; WO2007095156; WO2008116321 | ChEBI |
| Hazard | F: Highly flammable | Acros Organics |
| H phrase | H228: Flammable solid | Acros Organics |
| P phrase | P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking | Acros Organics |
| R phrase | R11: Highly flammable. | Acros Organics |
| S phrase | S16: Keep away from sources of ignition - No smoking. | Acros Organics |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
| UniProt Database Links | UD2A1_HUMAN; UDB15_RAT; ZERSY_ZINZE | ChEBI |
| PUBCHEM_PATENT_ID | US6146806 | IBM Patent Data |
