| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 13th, 2006 | 20 | No |
Popular Name: stearic acid stearic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 12/5/4485 12:00:00 AM , 4485-12-5 , 557-04-0 , 557-05-1 , 57-11-4
1,2,3-Propanetriol hexadecanoate octadecanoate;Precirol
557-04-0; D02189; Magnesium stearate (JP16/NF)
557-05-1; D06370; Zinc stearate (USP)
57-11-4; C01530; Octadecanoic acid; Stearate; Stearic acid
57-11-4; STEARIC_ACID; octadecanoate (n-C18:0); stearate; stearic acid
8-Hydroxy-1-methylquinolinium stearate; LS-142390; Quinolinium, 8-hydroxy-1-methyl-, stearate
Aluminum stearate; Aluminum(III) stearate; Octadecanoic acid, aluminum salt
Cetylacetic acid; Stearate; n-Octadecanoic acid; Octadecanoate; C18:0
EINECS 257-529-7; LS-184545; Sorbitan, octadecanoate (2:3); Stearic acid, sorbitan ester (3:2)
Magnesium stearate, 3.8-5.0% Mg
Magnesium stearate; magnesium distearate; magnesium octadecanoate
| 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) | 8.07 | 13.64 | -44.83 | 0 | 2 | -1 | 40 | 283.476 | 16 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 130 - 140 | Acros Organics |
| Melting_Point | 130? | Alfa-Aesar |
| Melting_Point | 130° | Alfa-Aesar |
| Melting_Point | 148-152? | Alfa-Aesar |
| Melting_Point | 148-152° | Alfa-Aesar |
| Mp [°C] | 220 | Acros Organics |
| Melting_Point | 220? | Alfa-Aesar |
| Melting_Point | 220° | Alfa-Aesar |
| Boiling_Point | 232?/15mm | Alfa-Aesar |
| Boiling_Point | 232°/15mm | Alfa-Aesar |
| BP [°C] | 361 | Acros Organics |
| ALOGPS_SOLUBILITY | 6.61e-05 g/l | DrugBank-experimental |
| Mp [°C] | 67 - 69 | Acros Organics |
| M.P | 68-70o C | Indofine |
| Melting_Point | 69-72? | Alfa-Aesar |
| Melting_Point | 69-72° | Alfa-Aesar |
| UniProt Database Links | A1H2_LOXRE; A85A_MYCTU; ACAD9_HUMAN; ACAD9_MOUSE; ACER2_HUMAN; ACO11_SPOLI; ACO15_HUMAN; APOM_HUMAN; APOM_MOUSE; APOM_PIG; APOM_PONAB; APOM_RAT; CERS3_HUMAN; CERS3_MOUSE; ELOV3_HUMAN; ELOV6_RAT; ELOV7_HUMAN; FAS2_CANPC; FAS2_EMENI; FATA1_ARATH; FATA2_ARAT | ChEBI |
| UniProt Database Links | ACO11_SPOLI; APOM_HUMAN; APOM_MOUSE; APOM_PIG; APOM_PONAB; APOM_RAT; CNBL1_ARATH; CNBL2_ARATH; FAS2_CANPC; FAS2_EMENI; FATB_ARATH; HYES_HUMAN; HYES_MOUSE; HYES_PIG; HYES_RAT; LCFCS_THET8; PRGC2_HUMAN; SPIR_SPICI; SPIR_SPIME; STAD2_ORYSJ; STAD7_ARATH | ChEBI |
| Patent Database Links | EP0947523; EP0962459; EP0964029; EP0966974; EP1172142; EP1319409; EP1342721; EP1344769; EP1375583; EP1500390; EP1506782; EP1508335; EP1514876; EP1520579; EP1522233; EP1522539; EP1523979; EP1527782; EP1530965; EP1533311; EP1535986; EP1537857; EP1541134; EP | ChEBI |
| Patent Database Links | EP1634584; EP1787637 | ChEBI |
| Hazard | F: Highly flammable | Acros Organics |
| H phrase | H319: Causes serious eye irritation | Acros Organics |
| H phrase | H335: May cause respiratory irritation | Acros Organics |
| H phrase | H335: May cause respiratory irritation; H319: Causes serious eye irritation; H315: Causes skin irritation | Acros Organics |
| 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 | R11: Highly flammable. | Acros Organics |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| Reactome Database Links | REACT_160151; REACT_160208; REACT_160239; REACT_19134; REACT_19174; REACT_19413; REACT_21408; REACT_23817 | ChEBI |
| S phrase | S16: Keep away from sources of ignition - No smoking. | Acros Organics |
| S phrase | S24/25: Avoid contact with skin and eyes. | 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 |
| Target | Thyroid peroxidase(P07202)&Calcium/calmodulin-dependent protein kinase type IV(Q16566)&Cyclic AMP-responsive element-binding protein 1(P16220) | Herbal Ingredients Targets |
| Hazard | XI: Irritant | Acros Organics |
| Description | Species |
|---|---|
| Free fatty acid receptors | |
| Retinoid metabolism and transport | |
| Sphingolipid de novo biosynthesis | |
| Sphingolipid metabolism | |
| Synthesis, secretion, and inactivation of Glucagon-like Peptide-1 (GLP-1) | |
| The canonical retinoid cycle in rods (twilight vision) | |
| Transport of fatty acids |
No pre-computed analogs available. Try a structural similarity search.