Basic information
- CAS
19475-46-8- Standard SMILES
CCCCCOP(=S)(S)OCC(C)C- InChIKey
KEZYTBRZEHSOTF-UHFFFAOYSA-N- Molecular formula
- C9H21O2PS2
- Average molar mass
- 256.4 g/mol
- Monoisotopic mass
- 256.07205925
Names & identifiers
- Preferred name
- Phosphorodithioic acid, mixed O,O-bis(iso-Bu and pentyl) esters
- IUPAC
- 2-methylpropoxy-pentoxy-sulfanyl-sulfanylidene-λ5-phosphane
Names & synonyms
EINECS 271-126-3RefChem:862835271-126-3NJV7U87PNTo-Isobutyl o-pentyl phosphorodithioateo-Pentyl-o'-isobutyl dithiophosphateUNII-NJV7U87PNTPhosphorodithioic acid, o-isobutyl o-pentyl ester19475-46-8Phosphorodithioic acid, O-(2-methylpropyl) O-pentyl esterSCHEMBL3976230DTXSID40873997
Show more names
NS00062955O-(2-methylpropyl) O-pentyl hydrogen phosphorodithioate
Database identifiers
- CAS
19475-46-8、68516-01-8- PubChem CID
- 110397
- DTXSID
DTXSID40873997- UNII
- NJV7U87PNT
- EC Number
- 271-126-3
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 186
Experimental & physicochemical properties
UVCBUVCB -> EPA TSCA
Physical DescriptionLiquid
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 441 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Phosphorodithioic acid, mixed O,O-bis(iso-Bu and pentyl) esters is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phosphorodithioic acid, mixed O,O-bis(iso-Bu and pentyl) esters 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)
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 1,000,000 - <5,000,000 lb
Industry UsesIntermediate
General Manufacturing Information
Petroleum Lubricating Oil and Grease Manufacturing
Phosphorodithioic acid, mixed O,O-bis(iso-Bu and pentyl) esters: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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