| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2004 | 11 | Yes |
Popular Name: Linalool Linalool
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1216673-02-7 , 126-91-0 , 78-70-6 , [78-70-6]
(+)-linalool; (3S)-linalool; (S)-(+)-linalool; CPD-8997; linalool
(-)-Linalool with GC [126-91-0]; (3,7-Dimethyl-1,6-octadien-3-ol)
(-)-Linalool; (3R)-Linalool; (R)-(-)-Linalool; 126-91-0; C11388
(R)-(-)-Linalool, 95% (sum of enantiomers)
(R)-3,7-Dimethyl-1,6-octadien-3-ol
(R)-3,7-dimethylocta-1,6-dien-3-ol
(±)-3,7-Dimethyl-1,6-octadien-3-ol
(±)-3,7-Dimethyl-3-hydroxy-1,6-octadiene
2,6-dimethylocta-2,7-dien-6-ol; beta-linalool; linalool; linalyl alcohol
3,7-Dimethyl-1,6-octadien-3-ol
3,7-Dimethylocta-1,6-dien-3-ol
3,7-dimethylocta-1,6-dien-3-ol; 37-DIMETHYLOCTA-16-DIEN-3-OL
3,7-Dimethylocta-1,6-dien-3-ol; 78-70-6; C03985; Linalool
3R,7-dimethylocta-1,6-dien-3-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) | 3.21 | 4.46 | -1.88 | 1 | 1 | 0 | 20 | 154.253 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP [°C] | 196 - 198 | Acros Organics |
| BP [°C] | 199 | Acros Organics |
| Boiling_Point | 199-200? | Alfa-Aesar |
| Boiling_Point | 199-200° | Alfa-Aesar |
| BP | 200 | TCI |
| Purity | 95% | Fluorochem |
| UniProt Database Links | ACSS_MAIZE; AFS1_MALDO; CPXO_PSEPU; EED1_CANAL; HGC1_CANAL; HMNGT_SORBI; HWP1_CANAL; LALIN_LAVAN; LDI_CASDE; LINS_ARATH; LIS_CLABR; LLOS1_ARTAN; LLOS5_ARTAN; LLOS_MENAQ; LLOS_OCIBA; NES1_FRAAN; NES1_FRAVE; NES2_FRAAN; TPS11_MAIZE; TPS6_MAIZE; UME6_CANAL | ChEBI |
| Patent Database Links | EP0867431; EP1504744; EP1666021; EP1964544; US2001014661; US2002086376; US2003032565; US2007190177; US2007207220; US2007224261; US2007231278; US2007231279; US2007292540; US2008160155; US2008274064; WO2007109804; WO2007110790; WO2007115840; WO2007120725; W | ChEBI |
| Target | Fatty acid synthase(P49327)&RAC-alpha serine/threonine-protein kinase(P31749)&Serine/threonine-protein kinase mTOR(P42345)&Superoxide dismutase [Cu-Zn](P00441) | Herbal Ingredients Targets |
| H phrase | H315: Causes skin irritation | Acros Organics |
| H phrase | H315: Causes skin irritation; H319: Causes serious eye irritation | Acros Organics |
| H phrase | H319: Causes serious eye irritation | Acros Organics |
| H phrase | H319: Causes serious eye irritation; H315: Causes skin irritation | Acros Organics |
| UniProt Database Links | LALIN_LAVAN; LLOS1_ARTAN; LLOS5_ARTAN; LLOS_MENAQ; LLOS_OCIBA | ChEBI |
| P phrase | P302+ P352: IF ON SKIN: Wash with plenty of soap and water | Acros Organics |
| P phrase | 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 for several minutes. Remove contact lenses, if present | Acros Organics |
| R phrase | R36/38: Irritating to eyes 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 |
