Butanoyl dihydrogen phosphate

Base Information

• Chemical Name: Butanoyl dihydrogen phosphate
• CAS No.: 4378-06-7
• Molecular Formula: C4H9O5P
• Molecular Weight: 168.085
• Hs Code.: 2931900090
• UNII: 6Z2QPF6UPQ
• DSSTox Substance ID: DTXSID80963109
• Nikkaji Number: J2.367.846B
• Wikipedia: Butyryl_phosphate
• Wikidata: Q5003199
• Metabolomics Workbench ID: 50839
• Mol file: 4378-06-7.mol

Synonyms:butanoyl phosphate;butanoyl dihydrogen phosphate;butanoyloxyphosphonic acid;4378-06-7;Butanoylphosphate;butyryl phosphate;Butyric acid, anhydride with H3PO4;Butyric acid, monoanhydride with phosphoric acid;6Z2QPF6UPQ;Butyryl phosphate dilithium;Butyric phosphoric anhydride;Butanoic acid, phosphono ester;Butanoic acid, monoanhydride with phosphoric acid;Butanoyl phosphate (C3H7C(:O)OP(:O)(OH)2);butyric acid phosphate;UNII-6Z2QPF6UPQ;SCHEMBL60769;CHEBI:17260;DTXSID80963109;1-butanol, 1-oxo-, dihydrogen phosphate;C02527;Q5003199

Chemical Property of Butanoyl dihydrogen phosphate

Chemical Property:

• Vapor Pressure: 8.99E-05mmHg at 25°C
• Refractive Index: 1.463
• Boiling Point: 316 °C at 760mmHg
• Flash Point: 144.9 °C
• PSA: 93.64000
• Density: 1.434 g/cm³
• LogP: 0.42240
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 168.01876038
• Heavy Atom Count: 10
• Complexity: 159

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(=O)OP(=O)(O)O

Technology Process of Butanoyl dihydrogen phosphate

There total 2 articles about Butanoyl dihydrogen phosphate 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:

butyryl chloride (141-75-3) → Butyrylphosphat (4378-06-7)

Guidance literature:

With silver dihydrogenphosphate; diethyl ether; unter Eiskuehlung;

Reference yield:

→ Butyrylphosphat (4378-06-7)

Guidance literature:

Butyrylchlorid; isol. als Li-Salz;

upstream raw materials:

butyryl chloride