| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2004 | 11 | No |
Popular Name: Citronellal Citronellal
Find On: PubMed — Wikipedia — Google
CAS Numbers: 106-23-0 , 2385-77-5 , 5949-05-3 , 8000-29-1 , [106-23-0]
(R)-(+)-Citronellal; 2385-77-5; C09848
(S)-(-)-3,7-Dimethyl-6-Octenal
2,3-dihydrocitral; 3,7-dimethyl-6-octen-1-al; 3,7-dimethyl-6-octenal; D-Rhodinal; beta-citronellal
| 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) | 3.60 | 2.94 | -5.28 | 0 | 1 | 0 | 17 | 154.253 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP | 205 | TCI |
| Boiling_Point | 206-208? | Alfa-Aesar |
| Boiling_Point | 206-208° | Alfa-Aesar |
| BP [°C] | 89 (p=11 torr) | Acros Organics |
| Patent Database Links | EP1067116; EP1067174; EP1543830; EP1552814; EP1705171; EP1731147; EP1857436; EP1884251; EP1990639; US2001014661; US2004265349; US2005026998; US2005069568; US2007184000; US2007224128; US2007258894; WO2006069224; WO2007103474; WO2007134666; 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 |
| UniProt Database Links | OLF49_MOUSE | 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 |
| 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 |
