Basic information
- CAS
6028-47-3- Standard SMILES
CC(C)CC(C)OP(=S)(S)OC(C)CC(C)C- InChIKey
KGYKKBGZPGVFOS-UHFFFAOYSA-N- Molecular formula
- C12H27O2PS2
- Average molar mass
- 298.5 g/mol
- Monoisotopic mass
- 298.11900944
Overview
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Names & identifiers
- Preferred name
- O,O-DI(1,3-Dimethylbutyl)dithiophosphate
- IUPAC
- bis(4-methylpentan-2-yloxy)-sulfanyl-sulfanylidene-λ5-phosphane
- English name
- bis(1,3-dimethylbutyl) dithiophosphate
- Molecular formula
- C12H27O2PS2
- Molecular weight
- 298.445341
Names & synonyms
Bis(1,3-dimethylbutyl) dithiophosphate2-Pentanol, 4-methyl-, hydrogen phosphorodithioateUSM152F915EINECS 227-900-8O,O-Bis(1,3-dimethylbutyl) phosphorodithioateO,O-Bis(4-methylpentan-2-yl) S-hydrogen phosphorodithioateO,O-di(1,3-dimethylbutyl)dithiophosphate2-Pentanol, 4-methyl-, 2-(hydrogen phosphorodithioate)J227.240GDTXSID30276132-Pentanol, 4-methyl-, O,O-diester with phosphorodithioic acidO,O'-BIS(4-METHYL-2-PENTYL) DITHIOPHOSPHATE
Show more names
o,o-Bis(1,3-dimethylbutyl) hydrogen dithiophosphateDithiophosphoric acid O,O-bis(1,3-dimethylbutyl) esterDithiophosphoric acid hydrogen O,O-bis(1,3-dimethylbutyl) ester
O,O-BIS(2-METHYL-4-PENTYL) PHOSPHORODITHIOATE1-BUTANOL, 1,3-DIMETHYL-, HYDROGEN PHOSPHORODITHIOATE2-Pentanol, 4-methyl-, 2,2'-(hydrogen phosphorodithioate)PHOSPHORODITHIOIC ACID, O,O-BIS(1,3-DIMETHYLBUTYL) ESTERRefChem:855023DTXCID4076136028-47-3UNII-USM152F915
Database identifiers
- CAS
6028-47-3- PubChem CID
- 92172
- DTXSID
DTXSID3027613- UNII
- USM152F915
- Nikkaji
- J227.240G
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 235
Experimental & physicochemical properties
Physical DescriptionLiquid
Physicochemical properties
- Boiling point
- 348.9 · 348.9±11.0 °C(Predicted)
- Density
- 1.04 · 1.040±0.06 g/cm3(Predicted)
- pka
- -0.08 · -0.08±0.38(Predicted)
- FDA UNII
- 152 F915 · USM152F915
- EPA Substance Registry System
- 2 · 2-Pentanol, 4-methyl-, hydrogen phosphorodithioate (6028-47-3)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314-H318
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P280-P305+P351+P338-P310
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information
2-Pentanol, 4-methyl-, 2,2'-(hydrogen phosphorodithioate) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Pentanol, 4-methyl-, 2,2'-(hydrogen phosphorodithioate) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Safety data
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- Hazard statements
- H314-H318
- Precautionary statements
- P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P280-P305+P351+P338-P310
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 8,500,000 - <25,000,000 lb
Industry UsesIntermediate
General Manufacturing Information
Petroleum Lubricating Oil and Grease Manufacturing
2-Pentanol, 4-methyl-, 2,2'-(hydrogen phosphorodithioate): ACTIVE
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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