| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 2nd, 2009 | 17 | No |
Popular Name: Pentadecanoic acid Pentadecanoic acid
Find On: PubMed — Wikipedia — Google
CAS Number: 1002-84-2
C16537; Pentadecanoic acid; Pentadecylic acid; n-Pentadecanoic acid
CPD-8462; pentadecanoate; pentadecanoic acid
Pentadecyclic acid; Pentadecylic acid; bmse000558; n-pentadecanoic acid; pentadecanoic acid
| 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) | 6.55 | 11.25 | -45.02 | 0 | 2 | -1 | 40 | 241.395 | 13 | ↓ |
| Lo Low (pH 4.5-6) | 6.55 | 10.13 | -6.5 | 1 | 2 | 0 | 37 | 242.403 | 13 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Boiling_Point | 257?/100mm | Alfa-Aesar |
| Boiling_Point | 257°/100mm | Alfa-Aesar |
| BP [°C] | 339 | Acros Organics |
| Mp [°C] | 51 - 53 | Acros Organics |
| Melting_Point | 51-54? | Alfa-Aesar |
| Melting_Point | 51-54° | Alfa-Aesar |
| Patent Database Links | EP0962459; EP1564200; EP1676488; EP1731602; EP1878435; EP1932532; US2004122094; US2004242594; WO2007109801 | ChEBI |
| H phrase | H319: Causes serious eye irritation | Acros Organics |
| H phrase | H319: Causes serious eye irritation; H315: Causes skin irritation | Acros Organics |
| 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 |
| Reactome Database Links | REACT_15291; REACT_19346; REACT_19366; REACT_21412; REACT_22263; REACT_22436 | ChEBI |
| 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 |
| Description | Species |
|---|---|
| Fatty Acids bound to GPR40 (FFAR1) regulate insulin secretion | |
| Free fatty acid receptors | |
| G alpha (q) signalling events | |
| Synthesis, secretion, and inactivation of Glucagon-like Peptide-1 (GLP-1) | |
| Synthesis, secretion, and inactivation of Glucose-dependent Insulinotropic Polyp |
