| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2004 | 10 | No |
Popular Name: caprylic acid caprylic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 124-07-2 , 16577-52-9 , 1984-06-1 , [1984-06-1]
124-07-2; C06423; Caprylic acid; Octanoic acid; Octylic acid
124-07-2; D05220; Octanoic acid (USAN/INN)
1984-06-1; D08999; Sodium caprylate (NF)
CHEBI:44501; CHEBI:3373; CHEBI:25648
| 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) | 3.02 | 5.83 | -45.04 | 0 | 2 | -1 | 40 | 143.206 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 16 - 16.5 | Acros Organics |
| Melting_Point | 16-17? | Alfa-Aesar |
| Melting_Point | 16-17° | Alfa-Aesar |
| Boiling_Point | 236-238? | Alfa-Aesar |
| Boiling_Point | 236-238° | Alfa-Aesar |
| BP [°C] | 238 | Acros Organics |
| UniProt Database Links | 4CLL5_ARATH; ACAD9_HUMAN; ACAD9_MOUSE; ACOX3_ARATH; ESTB_BACSU; GHRL_ONCMY; GLYL2_HUMAN; LIPB1_PICTO; LIPB2_PICTO; LIPBL_ARATH; LIPB_ACIAC; LIPB_ACIAD; LIPB_ACIC1; LIPB_ACIC5; LIPB_ACICJ; LIPB_ACTP2; LIPB_ACTP7; LIPB_ACTPJ; LIPB_ACTSZ; LIPB_AERHH; LIPB_AE | ChEBI |
| ALOGPS_SOLUBILITY | 9.07e-01 g/l | DrugBank-experimental |
| Mp [°C] | >225 | Acros Organics |
| UniProt Database Links | AAE11_ARATH; COGS_HYPLI; CXE1_ACTER; EST1_THEFU; HAOX1_HUMAN; HAOX1_MOUSE; LIP1_STRCO; LIPA_ECOLI; LPLAC_THEAC; LPLAN_THEAC; LPLA_ECOLI; LPLJ_BACSU | ChEBI |
| Hazard | C: Corrosive | Acros Organics |
| Patent Database Links | EP0803576; EP0947523; EP1344769; EP1632231; EP1707178; EP1709960; EP1712541; EP1745791; EP1795598; EP1849779; EP1974728; GB2152376; GB2372986; US2001031489; US2002137660; US2003032672; US2003055208; US2003060606; US2003077595; US2003153031; US2003162832 | ChEBI |
| Patent Database Links | GB2334100; US2003162832; US2004010038; US2004229869; US2005054632; US2005070597; US2006135755; US2007196453; US2007244161; US2008242721; US2008279932; WO2005037845; WO2005113533; WO2006005955; WO2006068990; WO2007097818; WO2007126777 | ChEBI |
| H phrase | H314: Causes severe skin burns and eye damage | Acros Organics |
| H phrase | H319: Causes serious eye irritation | Acros Organics |
| H phrase | H319: Causes serious eye irritation; H335: May cause respiratory irritation; H315: Causes skin irritation | Acros Organics |
| Target | Low-density lipoprotein receptor(P01130)&Cell division protein kinase 2(P24941)&Cell division protein kinase 4(P11802)&Retinoblastoma-associated protein(P06400)&Cyclin-dependent kinase inhibitor 1(P38936) | Herbal Ingredients Targets |
| 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 |
| P phrase | P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting | Acros Organics |
| P phrase | P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P280: Wear eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue r | Acros Organics |
| R phrase | R34: Causes burns. | Acros Organics |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| Reactome Database Links | REACT_19318 | 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.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.; S45: In case of accident or if you feel unwell, seek medical advice immediat | 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 |
|---|---|
| Synthesis, secretion, and deacylation of Ghrelin |
