2-Pentanol, 4-methyl-, hydrogen phosphorodithioate

Base Information

• Chemical Name: 2-Pentanol, 4-methyl-, hydrogen phosphorodithioate
• CAS No.: 6028-47-3
• Deprecated CAS: 860499-97-4
• Molecular Formula: C12H27O2PS2
• Molecular Weight: 298.445341
• European Community (EC) Number: 227-900-8
• UNII: USM152F915
• DSSTox Substance ID: DTXSID3027613
• Nikkaji Number: J227.240G
• Wikidata: Q27291247
• Mol file: 6028-47-3.mol

Synonyms:2-Pentanol, 4-methyl-, hydrogen phosphorodithioate;6028-47-3;Bis(1,3-dimethylbutyl) dithiophosphate;UNII-USM152F915;O,O-Bis(4-methylpentan-2-yl) S-hydrogen phosphorodithioate;O,O-Bis(1,3-dimethylbutyl) phosphorodithioate;USM152F915;EINECS 227-900-8;O,O-bis(1,3-dimethylbutyl) hydrogen dithiophosphate;O,O-di(1,3-dimethylbutyl)dithiophosphate;2-Pentanol, 4-methyl-, 2-(hydrogen phosphorodithioate);2-Pentanol, 4-methyl-, O,O-diester with phosphorodithioic acid;SCHEMBL159529;DTXSID3027613;Bis-(1,3-dimethylbutyl)dithiophosphate;J227.240G;O,O'-BIS(4-METHYL-2-PENTYL) DITHIOPHOSPHATE;O,O-BIS(2-METHYL-4-PENTYL) PHOSPHORODITHIOATE;Q27291247;Dithiophosphoric acid O,O-bis(1,3-dimethylbutyl) ester;2-Pentanol, 4-methyl-, 2,2'-(hydrogen phosphorodithioate);1-BUTANOL, 1,3-DIMETHYL-, HYDROGEN PHOSPHORODITHIOATE;PHOSPHORODITHIOIC ACID, O,O-BIS(1,3-DIMETHYLBUTYL) ESTER

Chemical Property of 2-Pentanol, 4-methyl-, hydrogen phosphorodithioate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 368.625°C at 760 mmHg
• PKA: -0.08±0.38(Predicted)
• Flash Point: 176.739°C
• PSA: 60.36000
• Density: 1.074g/cm³
• LogP: 5.31080
• XLogP3: 5.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 298.11900944
• Heavy Atom Count: 17
• Complexity: 235

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC(C)OP(=S)(OC(C)CC(C)C)S