| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 6th, 2004 | 11 | Yes |
Popular Name: Eucalyptol Eucalyptol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 470-82-6 , 8000-48-4 , [470-82-6]
1,3,3-Trimethyl-2-oxabicyclo(2.2.2)octane
1,3,3-Trimethyl-2-oxabicyclo[2,2,2]octan
1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octane
1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane (ACD/Name 4.0)
1,8-Cineol; 1,8-Cineole; 470-82-6; C09844
1,8-Cineole [for Determination of o-Cresol]
1,8-cineole; 1,8-epoxy-p-menthane; 1,8-oxido-p-menthane; cajeputol; cineole; eucalyptol
1,8-cineole; 1,8-epoxy-p-menthane; 1,8-oxido-p-menthane; CPD-4261; cajeputol; cineole; eucalyptol
2-Oxa-1,3,3-trimethylbicyclo(2.2.2)octane
2-Oxa-1,3,3-trimethylbicyclo[2.2.2]octane
2-Oxabicyclo(2.2.2)octane, 1,3,3-trimethyl-
2-Oxabicyclo[2.2.2]octane, 1,3,3-trimethyl-
4,7,7-trimethyl-8-oxabicyclo[2.2.2]octane
470-82-6; Cineole; D04115; Eucalyptol (USAN)
CHEBI:35814; CHEBI:41535; CHEBI:561; CHEBI:18956; CHEBI:23242
{1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octane}
| 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) | 2.72 | 5.23 | -1.88 | 0 | 1 | 0 | 9 | 154.253 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 1.0? | Alfa-Aesar |
| Melting_Point | 1.0° | Alfa-Aesar |
| Mp [°C] | 1.5 | Acros Organics |
| BP | 176 | TCI |
| BP [°C] | 176 - 177 | Acros Organics |
| Boiling_Point | 176-177? | Alfa-Aesar |
| Boiling_Point | 176-177° | Alfa-Aesar |
| ALOGPS_SOLUBILITY | 2.25e-02 g/l | DrugBank-nutriceuticals |
| Therapy | anthelminthic, antiseptic, expectorant | SMDC Iconix |
| Target | Apoptosis regulator Bcl-2(P10415) | Herbal Ingredients Targets |
| Target | Caspase-3(P42574)&Interleukin-2 receptor subunit alpha(P01589)&Inhibitor of nuclear factor kappa-B kinase subunit beta(O14920)&Transcription factor p65(Q04206) | Herbal Ingredients Targets |
| UniProt Database Links | CIN1_ARATH; CIN2_ARATH; CINA_CITBR; CINB_CITBR; CINC_CITBR; CP2A6_HUMAN; CP2B6_HUMAN; CP3A4_HUMAN; SCS_SALOF; TRPM8_HUMAN; TRPM8_MOUSE; TRPM8_RAT | ChEBI |
| PUBCHEM_PATENT_ID | EP0058906A1; EP0091964A1; EP0091964B2; EP0108846A1; EP0113988A2; EP0113989A2; EP0125539A2; EP0134014A2; EP0239802A2; EP0249984A2; EP0257131A2; EP0257131B1; EP0261962B1; EP0270023A1; EP0274906A2; EP0274906B1; EP0287342A2; EP0287342B1; EP0294767A1; EP029476 | IBM Patent Data |
| H phrase | H226: Flammable liquid and vapor | Acros Organics |
| H phrase | H226: Flammable liquid and vapor; H317: May cause an allergic skin reaction | Acros Organics |
| P phrase | P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking | Acros Organics |
| P phrase | P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking; P280: Wear protective gloves/protective clothing; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P333 + P313: If | Acros Organics |
| R phrase | R10: Flammable. | Acros Organics |
| R phrase | R10: Flammable.; R43: May cause sensitisation by skin contact. | Acros Organics |
| S phrase | S16: Keep away from sources of ignition - No smoking. | Acros Organics |
| Patent Database Links | US2007184133; US2007237837; US2007292540; WO2007109804; WO2007122619; WO2008116321 | ChEBI |
| Hazard | XI: Irritant | Acros Organics |
