| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 28th, 2004 | 5 | Yes |
Popular Name: Propionic acid Propionic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 137-40-6 , 152571-51-2 , 17496-08-1 , 1979/9/4 , 327-62-8 , 3386-65-0 , 38869-24-8 , 4075-81-4 , 557-28-8 , 557-59-5 , 6531-45-9 , 6700-17-0 , 79-09-4 , [4075-81-4]
4075-81-4; Calcium propionate (NF); D09875
6700-17-0; D05872; Sodium propionate (NF); Sodium propionate hydrate
79-09-4; C00163; Propanoate; Propanoic acid; Propionate; Propionic acid
79-09-4; D02310; Propionic acid (NF)
79-09-4; ethylformic acid; methylacetic acid; propanoate; propionate; propionic acid
Calcium propionate hydrate, 97%
Cesium propionate, complex with propionic acid
LS-124810; Neodymium propionate; Neodympropionat [German]; Propionic acid, neodymium salt
Propionic Acid (NF); Sodium Propionate (NF)
Propionic acid calcium salt hydrate
Propionic acid, 99+%, extra pure
Propionic acid, sodium salt, 99.0-100.5%
Pseudoacetic acid; propionate;Methylacetic acid; Ethanecarboxylic acid; Ethylformic acid; C3:0
| 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) | 0.44 | 2.85 | -42.61 | 0 | 2 | -1 | 40 | 73.071 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 21? | Alfa-Aesar |
| Melting_Point | 21° | Alfa-Aesar |
| Mp [°C] | 22 | Acros Organics |
| M.P | 24--23 °C | Indofine |
| BP | 140 | TCI |
| Boiling_Point | 140-141? | Alfa-Aesar |
| Boiling_Point | 140-141° | Alfa-Aesar |
| BP [°C] | 141 | Acros Organics |
| Mp [°C] | 285 - 286 | Acros Organics |
| Melting_Point | 285-291? | Alfa-Aesar |
| Melting_Point | 285-291° | Alfa-Aesar |
| ALOGPS_SOLUBILITY | 3.52e+02 g/l | DrugBank-experimental |
| Mp [°C] | >300 | Acros Organics |
| Melting_Point | >300? | Alfa-Aesar |
| Melting_Point | >300° | Alfa-Aesar |
| UniProt Database Links | ACEB_SCHPO; ACEB_YEAST; ACKA_METTE; ACKA_SALTY; ACKA_THEMA; ACSA_CUPNH; ACSA_MYCTU; ACSA_SALTY; ALR_GEOSE; ARGK_ECOLI; CISY3_BACSU; ENA_EUBBA; FFAR2_HUMAN; FFAR2_MOUSE; FFAR3_HUMAN; GATM_RAT; GPR42_HUMAN; HMGD_EUBBA; HNR_EUBBA; HUTI_ACIAC; HUTI_ACIB3; HUT | ChEBI |
| Hazard | C: Corrosive | Acros Organics |
| PUBCHEM_PATENT_ID | EP0559860B1; EP0995740A1; EP1031563A1; US4171374; US5093370; US5364556; WO1993007234A1 | IBM Patent Data |
| Patent Database Links | EP1038870; EP1044978; EP1044979; EP1082313; EP1327632; EP1361223; EP1380573; EP1447397; EP1468991; EP1514871; EP1529780; EP1535921; EP1574213; EP1586571; EP1618882; EP1639994; EP1647551; EP1658846; EP1685843; EP1710231; EP1714676; EP1719508; EP1719543; EP | ChEBI |
| H phrase | H311: Toxic in contact with skin; H332: Harmful if inhaled | Acros Organics |
| H phrase | H314: Causes severe skin burns and eye damage | Acros Organics |
| H phrase | H314: Causes severe skin burns and eye damage; H226: Flammable liquid and vapor | Acros Organics |
| H phrase | H315: Causes skin irritation | Acros Organics |
| H phrase | H315: Causes skin irritation; H312: Harmful in contact with skin | Acros Organics |
| Target | Interleukin-6(P05231)&Interleukin-2(P60568)&Tissue-type plasminogen activator(P00750) | Herbal Ingredients Targets |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection; P302 + P352: IF ON SKIN: Wash with plenty of soap and water | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P304 + P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing | 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 protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, | Acros Organics |
| R phrase | R10: Flammable. | Acros Organics |
| R phrase | R10: Flammable.; R34: Causes burns. | Acros Organics |
| R phrase | R20/21: Harmful by inhalation and in contact with skin. | Acros Organics |
| R phrase | R21: Harmful in contact with skin. | Acros Organics |
| R phrase | R21: Harmful in contact with skin.; R38: Irritating to skin. | Acros Organics |
| S phrase | S23: Do not breathe gas/fumes/vapour/spray. | Acros Organics |
| S phrase | S23: Do not breathe gas/fumes/vapour/spray.; S36: Wear suitable protective clothing.; S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). | 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.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection. | Acros Organics |
| PUBCHEM_PATENT_ID | US4582931 | IBM Patent Data |
| Hazard | XN: Harmful | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.