| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2004 | 11 | Yes |
Popular Name: Citronellol Citronellol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 106-22-9 , 68916-43-8 , 7540-51-4 , [106-22-9] , [26489-01-0] , [7540-51-4]
(+)-beta-citronellol; (R)-(+)-beta-citronellol; (R)-(+)-citronellol; CPD-12877
(R)-(+)-Citronellol; C09849; beta-Citronellol
| 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) | 3.15 | 4.21 | -2.78 | 1 | 1 | 0 | 20 | 156.269 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Molecular_Solubility | 2.629 | Bitter DB |
| BP | 220 | TCI |
| Boiling_Point | 221-222? | Alfa-Aesar |
| Boiling_Point | 221-222° | Alfa-Aesar |
| BP [°C] | 222 | Acros Organics |
| MP | 77-83 °C(lit.) | Indofine |
| Melting_Point | <-20? | Alfa-Aesar |
| Melting_Point | <-20° | Alfa-Aesar |
| UniProt Database Links | ADHN_RHOER; GEOA_CASDE; HMNGT_SORBI; LDI_CASDE; UD2A1_HUMAN | ChEBI |
| Patent Database Links | EP1504744; EP1543830; EP1552814; EP1666021; EP1705171; EP1707178; EP1915986; EP1964544; US2002049346; US2003032565; US2005069568; US2007190177; US2007207220; US2007219131; US2007224261; US2007231279; WO2006127024; WO2007115840; WO2008116321 | ChEBI |
| H phrase | H315: Causes skin irritation | Acros Organics |
| H phrase | H315: Causes skin irritation; H319: Causes serious eye irritation; H317: May cause an allergic skin reaction; H411: Toxic to aquatic life with long lasting effects | Acros Organics |
| UniProt Database Links | HMNGT_SORBI | ChEBI |
| 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 | 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. | Acros Organics |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
| Hazard | XI: Irritant; N: Dangerous for the environment | Acros Organics |
