| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2008 | 11 | Yes |
Popular Name: NEROL NEROL
Find On: PubMed — Wikipedia — Google
CAS Numbers: 106-24-1 , 106-25-2 , 8007-13-4 , [106-25-2]
(2Z)-3,7-Dimethyl-2,6-octadien-1-ol
(2Z)-3,7-dimethylocta-2,6-dien-1-ol
(2Z)-3,7-dimethylocta-2,6-dien-1-ol; CPD-7978; cis-geraniol; nerol; neryl alcohol
(Z)-3,7-Dimethylocta-2,6-dien-1-ol
(Z)-3,7-Dimethylocta-2,6-dien-1-ol; 106-25-2; C09871; Nerol
(Z)-Geraniol; (Z)-3,7-dimethylocta-2,6-dien-1-ol; Neryl alcohol
106-24-1; 3,7-dimethyl-2,6-octadien-1-ol; nsc9279
3,7-Dimethyl-2,6-Octadien-1-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 | 4.24 | -3.04 | 1 | 1 | 0 | 20 | 154.253 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| 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 |
| BP [°C] | 225 - 227 | Acros Organics |
| BP | 226 | TCI |
| Purity | 95% | Fluorochem |
| Patent Database Links | EP0867431; EP1543829; EP1705171; US2007259042; US2007264340; US2007276152; US2008274064; WO2006070383; WO2008116321 | ChEBI |
| H phrase | H319: Causes serious eye irritation | Acros Organics |
| H phrase | H319: Causes serious eye irritation; H315: Causes skin irritation; H335: May cause respiratory 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 |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
