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Propionic Acid

PubChem CID: 1032

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Compound Synonyms propionic acid, Propanoic acid, 79-09-4, ethylformic acid, methylacetic acid, Carboxyethane, Metacetonic acid, Ethanecarboxylic acid, Pseudoacetic acid, Luprosil, Monoprop, Prozoin, Antischim B, Propionoic acid, Acide propionique, Methyl acetic acid, Sentry grain preserver, C3 acid, Tenox P grain preservative, Caswell No. 707, Propionsaeure, Propcorn, Propkorn, propoic acid, Propioic acid, Propionic acid grain preserver, FEMA No. 2924, acide propanoique, Kyselina propionova, Propionic acid (natural), FEMA Number 2924, CCRIS 6096, EPA Pesticide Chemical Code 077702, HSDB 1192, CH3-CH2-COOH, Acide propionique [French], Kyselina propionova [Czech], AI3-04167, Propanyl acid, CHEBI:30768, BRN 0506071, UNII-JHU490RVYR, n-propionic acid, Toxi-Check, JHU490RVYR, EINECS 201-176-3, MFCD00002756, UN1848, INS NO.280, DTXSID8025961, Propionic acid [NF], INS-280, CHEMBL14021, DTXCID505961, E-280, EC 201-176-3, ethylformate, 4-02-00-00695 (Beilstein Handbook Reference), PROPIONIC-2,2-D2 ACID, Propionic acid (NF), Propionic acid [UN1848] [Corrosive], Propionic acid, >=99.5%, PROPIONIC ACID (MART.), PROPIONIC ACID [MART.], Sentry Grain Preservative, proprionic acid, Luprisol, proponic acid, 1-propanoic acid, 2-methylacetic acid, EINECS 273-079-4, Acid C3, EtCO2H, EHTYLFORMIC ACID, Propionic acid solution, Propionic acid, 99%, Propanoic acid (9CI), C2H5COOH, bmse000179, Epitope ID:139981, Propionic acid, >=99%, Propionic acid, 99.5%, ultra-long-chain fatty acid, PROPIONIC ACID [MI], Propionic acid (6CI,8CI), PROPIONIC ACID [FCC], Propionic acid, 99%, FCC, PROPIONIC ACID [FHFI], PROPIONIC ACID [HSDB], PROPIONIC ACID [VANDF], GTPL1062, PROPIONIC ACID [USP-RS], PROPIONIC ACID [WHO-DD], MSK1701, DTXSID001015846, Propionic acid, ACS reagent grade, Propionic acid, analytical standard, Propionic acid, natural, 99%, FG, Tox21_304030, BDBM50082199, FA 3:0, LMFA01010003, STL168039, Propionic acid, feed grade, 98.7%, AKOS000118853, 1ST1701, DB03766, UN 1848, CAS-79-09-4, Propionic acid, for synthesis, 99.5%, NCGC00357239-01, Propionic acid, >=99.5%, FCC, FG, BP-20411, E280, Propionic acid, ACS reagent, >=99.5%, NS00008857, P0500, EN300-19540, Propionic acid, SAJ first grade, >=98.0%, C00163, C22352, D02310, Propionic acid 1000 microg/mL in Acetonitrile, Propionic acid, puriss. p.a., >=99.5% (GC), Q422956, F2191-0098, Z104474154, InChI=1/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5, Propionic acid, BioReagent, suitable for insect cell culture, ~99%, Propionic acid, United States Pharmacopeia (USP) Reference Standard, 201-176-3, 90990-11-7
Ghose Rule False
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 37.3
Hydrogen Bond Donor Count 1.0
Pfizer 3 75 Rule False
Np Classifier Class Branched fatty acids
Deep Smiles CCC=O)O
Heavy Atom Count 5.0
Classyfire Class Carboxylic acids and derivatives
Description Propionic acid, also known as propionate or ethanecarboxylic acid, is a member of the class of compounds known as carboxylic acids. Carboxylic acids are compounds containing a carboxylic acid group with the formula -C(=O)OH. Thus, propionic acid is considered to be a fatty acid lipid molecule. Propionic acid is soluble (in water) and a weakly acidic compound (based on its pKa). Propionic acid can be found in a number of food items such as celery stalks, burbot, sapodilla, and dock, which makes propionic acid a potential biomarker for the consumption of these food products. Propionic acid can be found primarily in most biofluids, including feces, saliva, blood, and urine, as well as throughout most human tissues. Propionic acid exists in all living species, ranging from bacteria to humans. In humans, propionic acid is involved in a couple of metabolic pathways, which include propanoate metabolism and vitamin K metabolism. Propionic acid is also involved in few metabolic disorders, which include malonic aciduria, malonyl-coa decarboxylase deficiency, and methylmalonic aciduria due to cobalamin-related disorders. Moreover, propionic acid is found to be associated with propionic acidemia. Propionic acid is a non-carcinogenic (not listed by IARC) potentially toxic compound.
Classyfire Subclass Carboxylic acids
Isotope Atom Count 0.0
Molecular Complexity 40.2
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id Q9NR19, Q9NUB1, Q9NQX3, Q96FY7, Q9H6R3, Q8VC69, Q80UJ1, Q969S8, O15552, O14843, Q8VCK6, Q8N539, n.a., P05412
Iupac Name propanoic acid
Prediction Hob 1.0
Class Carboxylic acids and derivatives
Veber Rule True
Classyfire Superclass Organic acids and derivatives
Target Id NPT3731
Xlogp 0.3
Superclass Organic acids and derivatives
Subclass Carboxylic acids
Gsk 4 400 Rule True
Molecular Formula C3H6O2
Prediction Swissadme 0.0
Inchi Key XBDQKXXYIPTUBI-UHFFFAOYSA-N
Silicos It Class Soluble
Fcsp3 0.6666666666666666
Logs 0.856
Rotatable Bond Count 1.0
State Liquid
Logd 0.36
Synonyms Acide propanoique, Acide propionique, Carboxyethane, CH3-CH2-COOH, Ethanecarboxylic acid, Ethylformic acid, Metacetonic acid, Methylacetic acid, PA, Propanoic acid, Propioic acid, Propionsaeure, Propoic acid, Pseudoacetic acid, Propionate, Ethanecarboxylate, Ethylformate, Metacetonate, Methylacetate, Propanoate, Propioate, Propoate, Pseudoacetate, Adofeed, Antischim b, Luprosil, MonoProp, Propanate, Propcorn, Propkorn, Prozoin, Toxi-check, Propionic acid, zinc salt, Potassium propionate, Chromium propionate, Lithium propanoate, Zinc propionate, propanoic acid, propanoic acid*, propionic acid
Esol Class Very soluble
Functional Groups CC(=O)O
Compound Name Propionic Acid
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 74.0368
Formal Charge 0.0
Monoisotopic Mass 74.0368
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 74.08
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aliphatic acyclic compounds
Lipinski Rule Of 5 True
Esol -0.4411897999999999
Inchi InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)
Smiles CCC(=O)O
Nring 0.0
Np Classifier Biosynthetic Pathway Fatty acids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Taxonomy Direct Parent Carboxylic acids
Np Classifier Superclass Fatty Acids and Conjugates

  • 1. Outgoing r'ship FOUND_IN to/from Alpinia Oxyphylla (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 2. Outgoing r'ship FOUND_IN to/from Alstonia Boonei (Plant) Rel Props:Source_db:npass_chem_all
  • 3. Outgoing r'ship FOUND_IN to/from Angelica Acutiloba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 4. Outgoing r'ship FOUND_IN to/from Angelica Gigas (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 5. Outgoing r'ship FOUND_IN to/from Angelica Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 6. Outgoing r'ship FOUND_IN to/from Aquilaria Agallocha (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1993.9698252
  • 7. Outgoing r'ship FOUND_IN to/from Arachis Hypogaea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 8. Outgoing r'ship FOUND_IN to/from Araucaria Cunninghamii (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1999.9701065
  • 9. Outgoing r'ship FOUND_IN to/from Artemisia Capillaries (Plant) Rel Props:Source_db:npass_chem_all
  • 10. Outgoing r'ship FOUND_IN to/from Artemisia Capillaris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 11. Outgoing r'ship FOUND_IN to/from Artemisia Macrocephala (Plant) Rel Props:Reference:ISBN:9788185042084
  • 12. Outgoing r'ship FOUND_IN to/from Artocarpus Heterophyllus (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730070604
  • 13. Outgoing r'ship FOUND_IN to/from Bunium Persicum (Plant) Rel Props:Reference:ISBN:9788185042084
  • 14. Outgoing r'ship FOUND_IN to/from Caragana Sinica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 15. Outgoing r'ship FOUND_IN to/from Carica Papaya (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1248
  • 16. Outgoing r'ship FOUND_IN to/from Carthamus Tinctorius (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 17. Outgoing r'ship FOUND_IN to/from Codonopsis Pilosula (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 18. Outgoing r'ship FOUND_IN to/from Conioselinum Vaginatum (Plant) Rel Props:Source_db:npass_chem_all
  • 19. Outgoing r'ship FOUND_IN to/from Crotalaria Verrucosa (Plant) Rel Props:Reference:ISBN:9788172363178
  • 20. Outgoing r'ship FOUND_IN to/from Croton Tiglium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 21. Outgoing r'ship FOUND_IN to/from Cymbopogon Nardus (Plant) Rel Props:Reference:ISBN:9788172362140; ISBN:9788185042084
  • 22. Outgoing r'ship FOUND_IN to/from Desmodium Styracifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 23. Outgoing r'ship FOUND_IN to/from Elettaria Cardamomum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 24. Outgoing r'ship FOUND_IN to/from Eruca Vesicaria (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1079
  • 25. Outgoing r'ship FOUND_IN to/from Fragaria Ananassa (Plant) Rel Props:Source_db:npass_chem_all
  • 26. Outgoing r'ship FOUND_IN to/from Ginkgo Biloba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 27. Outgoing r'ship FOUND_IN to/from Glycyrrhiza Glabra (Plant) Rel Props:Reference:ISBN:9788172362300
  • 28. Outgoing r'ship FOUND_IN to/from Gynura Segetum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 29. Outgoing r'ship FOUND_IN to/from Hierochloe Odorata (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730060108
  • 30. Outgoing r'ship FOUND_IN to/from Hippophae Rhamnoides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 31. Outgoing r'ship FOUND_IN to/from Hyoscyamus Niger (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 32. Outgoing r'ship FOUND_IN to/from Iris Florentina (Plant) Rel Props:Source_db:npass_chem_all
  • 33. Outgoing r'ship FOUND_IN to/from Limnophila Roxburghii (Plant) Rel Props:Reference:ISBN:9788185042084
  • 34. Outgoing r'ship FOUND_IN to/from Limnophila Rugosa (Plant) Rel Props:Reference:ISBN:9788185042084
  • 35. Outgoing r'ship FOUND_IN to/from Lycium Chinense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 36. Outgoing r'ship FOUND_IN to/from Myristica Fragrans (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 37. Outgoing r'ship FOUND_IN to/from Myrtus Communis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.958564
  • 38. Outgoing r'ship FOUND_IN to/from Nardostachys Jatamansi (Plant) Rel Props:Reference:ISBN:9770972795006
  • 39. Outgoing r'ship FOUND_IN to/from Nelumbo Nucifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 40. Outgoing r'ship FOUND_IN to/from Nicotiana Tabacum (Plant) Rel Props:Reference:ISBN:9770972795006; ISBN:9788172361150
  • 41. Outgoing r'ship FOUND_IN to/from Pelargonium Graveolens (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2011.10644001
  • 42. Outgoing r'ship FOUND_IN to/from Plantago Major (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 43. Outgoing r'ship FOUND_IN to/from Polemonium Caeruleum (Plant) Rel Props:Reference:ISBN:9788185042114
  • 44. Outgoing r'ship FOUND_IN to/from Polygala Senega (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730100408
  • 45. Outgoing r'ship FOUND_IN to/from Prunus Armeniaca (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 46. Outgoing r'ship FOUND_IN to/from Rehmannia Glutinosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 47. Outgoing r'ship FOUND_IN to/from Salvia Hispanica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 48. Outgoing r'ship FOUND_IN to/from Smilax China (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 49. Outgoing r'ship FOUND_IN to/from Strychnos Nitida (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 50. Outgoing r'ship FOUND_IN to/from Taraxacum Officinale (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 51. Outgoing r'ship FOUND_IN to/from Taxus Wallichiana (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644112
  • 52. Outgoing r'ship FOUND_IN to/from Trichosanthes Kirilowii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 53. Outgoing r'ship FOUND_IN to/from Trichosanthes Rosthornii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 54. Outgoing r'ship FOUND_IN to/from Viscum Album (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1996.9701029
  • 55. Outgoing r'ship FOUND_IN to/from Vitex Trifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 56. Outgoing r'ship FOUND_IN to/from Ziziphus Jujuba (Plant) Rel Props:Source_db:cmaup_ingredients
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