| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2004 | 11 | Yes |
Popular Name: Geraniol Geraniol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 106-24-1 , 106-25-2 , 8007-13-4 , [106-24-1]
(2Z)-3,7-dimethylocta-2,6-dien-1-ol
(E)-3,7-Dimethyl-2,6-octadien-1-ol
(E)-3,7-Dimethylocta-2,6-dien-1-ol
106-24-1; 3,7-dimethyl-2,6-octadien-1-ol; nsc9279
3,7-Dimethyl-2,6-Octadien-1-ol
3,7-Dimethylocta-2,6-dien-1-ol
CHEBI:5329; CHEBI:14297; CHEBI:24219
cis-3,7-Dimethyl-2,6-octadien-1-ol
Geraniol [106-24-1]; (Lemonol)
Geraniol;2,6-Dimethyl-2,6-octadien-8-ol
| 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) | 3.20 | 4.3 | -3.25 | 1 | 1 | 0 | 20 | 154.253 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 15 | Acros Organics |
| MP | 15 °C | Indofine |
| Melting_Point | 15? | Alfa-Aesar |
| Melting_Point | 15° | Alfa-Aesar |
| Molecular_Solubility | 2.442 | Bitter DB |
| Boiling_Point | 103-105?/9mm | Alfa-Aesar |
| Boiling_Point | 103-105°/9mm | Alfa-Aesar |
| UniProt Database Links | 10HGO_CATRO; ACSS_MAIZE; ALD1_RAT; GEDH1_OCIBA; GEOA_CASDE; GEOB_CASDE; GERS_CINTE; GERS_OCIBA; HMNGT_SORBI; LDI_CASDE; RDH16_HUMAN; Y3376_MYCTU | ChEBI |
| Boiling_Point | 114-115?/12mm | Alfa-Aesar |
| Boiling_Point | 114-115°/12mm | Alfa-Aesar |
| BP [°C] | 229 - 230 (p=757 torr) | Acros Organics |
| Purity | 95% | Fluorochem |
| Patent Database Links | EP0867431; EP1543829; EP1552814; EP1586578; EP1666021; EP1666027; EP1705171; EP1905453; EP1964544; GB2014030; US2002049346; US2003032565; US2007190177; US2007190191; US2007207220; US2007219131; US2007224261; US2007259042; US2007276152; US2008274064; US728 | ChEBI |
| H phrase | H318: Causes serious eye damage; H315: Causes skin irritation; H317: May cause an allergic skin reaction | Acros Organics |
| H phrase | H319: Causes serious eye irritation | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water | Acros Organics |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| R phrase | R38: Irritating to skin.; R41: Risk of serious damage to eyes.; R43: May cause sensitisation by skin contact. | Acros Organics |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
| Target | Transcription factor p65(Q04206)&Cytochrome P450 1A1(P04798)&Tissue factor(P13726)&Plasminogen activator inhibitor 1(P05121)&Tumor necrosis factor(P01375)&Interleukin-6(P05231)&Matrix metalloproteinase-9(P14780)&Transforming growth factor beta-1(P01137)&1 | Herbal Ingredients Targets |
| therap | weak estrogen receptor blocker | MicroSource Spectrum |
| Hazard | XI: Irritant | Acros Organics |
