Butyric Acid

Base Information

• Chemical Name: Butyric Acid
• CAS No.: 107-92-6
• Molecular Formula: C4H8O2
• Molecular Weight: 88.1063
• Hs Code.: 2915600000
• European Community (EC) Number: 203-532-3
• ICSC Number: 1334
• NSC Number: 8415
• UN Number: 2820
• UNII: 40UIR9Q29H
• DSSTox Substance ID: DTXSID8021515
• Nikkaji Number: J4.068A
• Wikipedia: Butyric_acid
• Wikidata: Q193213
• NCI Thesaurus Code: C68327
• RXCUI: 1362696
• Pharos Ligand ID: BK9YBU47BFRU
• Metabolomics Workbench ID: 26
• ChEMBL ID: CHEMBL14227
• Mol file: 107-92-6.mol

Synonyms:Acid, Butanoic;Acid, Butyric;Butanoic Acid;Butyrate, Magnesium;Butyrate, Sodium;Butyric Acid;Butyric Acid Magnesium Salt;Butyric Acid, Sodium Salt;Dibutyrate, Magnesium;Magnesium Butyrate;Magnesium Dibutyrate;Sodium Butyrate

Chemical Property of Butyric Acid

Chemical Property:

• Appearance/Colour: colourless liquid
• Vapor Pressure: 1.35mmHg at 25°C
• Melting Point: -6 - -3 °C
• Refractive Index: n20/D 1.398(lit.)
• Boiling Point: 164.3 °C at 760 mmHg
• Flash Point: 69 °C
• PSA: 37.30000
• Density: 0.987 g/cm³
• LogP: 0.87110
• Water Solubility.: MISCIBLE
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 88.052429494
• Heavy Atom Count: 6
• Complexity: 49.5
• Transport DOT Label: Corrosive

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s): Xi,C
• Hazard Codes: C:Corrosive
• Statements: R34:
• Safety Statements: S26:; S36:; S45:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Organic Acids
• Canonical SMILES: CCCC(=O)O
• Recent ClinicalTrials: Effects of Administration of SCFA in Rheumatoid Arthritis Inadequate Responders
• Recent NIPH Clinical Trials: Usefulness of synbiotics before hepatic resection
• Inhalation Risk: No indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.
• Effects of Short Term Exposure: The substance is corrosive to the eyes, skin and respiratory tract.

Technology Process of Butyric Acid

There total 846 articles about Butyric Acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 85.0%

(5R)-5-phenylmorpholin-3-one (192815-71-7) → 3-(-)-Phenyl morpholine (138713-44-7,74572-03-5) + butyric acid (107-92-6)

Guidance literature:

With [RuCl₂(N-heterocyclic carbene)(bis[2-(diphenylphosphino)ethyl]amine)]; caesium carbonate; In toluene; butan-1-ol; at 150 ℃; for 6h; under 37503.8 Torr; Schlenk technique; Autoclave;

DOI:10.1021/acs.orglett.9b03878

Reference yield: 46.0%

3-Dibutoxymethyl-pentane (104723-47-9) → 2-Ethylbutanoic acid (88-09-5) + butyl 2-ethylbutyrate (5129-48-6) + butyric acid (107-92-6) + butan-1-ol (71-36-3)

Guidance literature:

With oxygen; cobalt(II) acetate; at 90 ℃; under 750.06 Torr; Mechanism; Rate constant; other pressure;

Reference yield: 14.9%

2-butenoic acid (3724-65-0) → (E/Z)-2-buten-1-ol (6117-91-5,542-72-3) + butyric acid (107-92-6) + butan-1-ol (71-36-3)

Guidance literature:

With hydrogen; In aq. phosphate buffer; at 40 ℃; for 24h; under 3750.38 Torr; pH=6.5; chemoselective reaction; Autoclave;

DOI:10.1016/j.molcatb.2013.09.006

upstream raw materials:

2-propyl-1,3-dioxolane

4-methyleneoxetan-2-one

1,2-dihydro-5-methyl-3H-pyrazol-3-one

sodium methylate

Downstream raw materials:

2-propylpyridine

4-n-propylpyridine

butyric acid-(3-tetrahydro[2]furyl-propyl ester)

butanoic acid anhydride

Refernces

• 1、 Schwenk et al.. "-". . p. 175. Retrieved 1944.
• 2、 Bachman,Strawn. "-". . p. 313. Retrieved 1968.
• 3、 Deklewa, Thomas W.,Forster, Denis. "The Rhodium-Catalyzed Carbonylation of Linear Primary Alcohols". . p. 3565 - 3567. Retrieved 1985.
• 4、 Kadiera. "". . p. 332. Retrieved 1904.
• 5、 Wen, Bo,Li, Yue,Chen, Chuncheng,Ma, Wanhong,Zhao, Jincai. "An unexplored O2-involved pathway for the decarboxylation of saturated carboxylic acids by TiO2 photocatalysis: An isotopic probe study". . p. 11859 - 11866. Retrieved 2010.
• 6、 Ohta, Tetsuo,Miyake, Tsutomu,Takaya, Hidemasa. "An Efficient Synthesis of Optically Active 4-Methyloxetan-2-one: Asymmetric Hydrogenation of Diketene catalysed by binap-Ruthenium(II) Complexes ". . p. 1725 - 1726. Retrieved 1992.
• 7、 Durham et al.. "-". . p. 332,334. Retrieved 1958.
• 8、 Bitsi, Gustave,Kheradmand, Houchang,Jenner, Gerard. "HYDROCARBONYLATION DE LACTONES EN PRESENCE DE CATALYSEURS A BASE DE COBALT ET DE RHODIUM". . p. 115 - 120. Retrieved 1986.
• 9、 Liu, Xiaoran,Wang, Xicheng,Xu, Guoqiang,Liu, Qiang,Mu, Xindong,Liu, Haichao. "Tuning the catalytic selectivity in biomass-derived succinic acid hydrogenation on FeOx-modified Pd catalysts". . p. 23560 - 23569. Retrieved 2015.
• 10、 Malik, Susanta,Ghosh, Aniruddha,Saha, Bidyut. "Hetero-aromatic Nitrogen Base Promoted Cr(VI) Oxidation of Butanal in Aqueous Micellar Medium at Room Temperature and Atmospheric Pressure". . p. 109 - 125. Retrieved 2016.