Zinc bis(O,O-bis(1,3-dimethylbutyl) dithiophosphate)
Basic information
- CAS
2215-35-2- Standard SMILES
CC(C)CC(C)OP(=S)([S-])OC(C)CC(C)C.CC(C)CC(C)OP(=S)([S-])OC(C)CC(C)C.[Zn+2]- InChIKey
SVGYUUVJEMDZDP-UHFFFAOYSA-L- Molecular formula
- C24H52O4P2S4Zn
- Average molar mass
- 660.3 g/mol
- Monoisotopic mass
- 658.151511
Names & identifiers
- Preferred name
- Zinc bis(O,O-bis(1,3-dimethylbutyl) dithiophosphate)
- IUPAC
- zinc bis(bis(4-methylpentan-2-yloxy)-sulfanylidene-sulfido-λ5-phosphane)
- English name
- zinc O,O,O',O'-tetrakis(1,3-dimethylbutyl) bis(phosphorodithioate)
- Molecular formula
- C24H56O4P2S4Zn
- Molecular weight
- 664.28
Names & synonyms
2215-35-2EINECS 218-679-95ZMG6Q6P0XO,O-Bis(1,3-dimethylbutyl)dithiophosphate zinc saltZinc O,O,O',O'-tetrakis(1,3-dimethylbutyl) bis(phosphorodithioate)zinc bis(1,3-dimethylbutyl)dithiophosphateDTXSID2027460EC 218-679-9Zinc bis(O,O-bis(1,3-dimethylbutyl) dithiophosphate)2-Pentanol, 4-methyl-, hydrogen phosphorodithioate, zinc saltZinc bis(1,3-dimethylbutyl) dithiophosphatePhosphorodithioic acid, O,O-bis(1,3-dimethylbutyl) ester, zinc salt
Show more names
O,O-bis(1,3-Dimethylbutyl) dithiophosphate zinc saltbis[O,O-bis(1,3-dimethylbutyl) phosphorodithioato-S,S']-, (T-4)-Zinco-bis(1,3-dimethylbutyl) phosphorodithioato-s,s']- bis[ (beta-4)-zincZinc, bis[O,O-bis(1,3-dimethylbutyl) phosphorodithioato-S,S']-, (T-4)-Zinc, bisO,O-bis(1,3-dimethylbutyl) phosphorodithioato-.kappa.S,.kappa.S-, (T-4)-
Zinc, bis(O,O-bis(1,3-dimethylbutyl) phosphorodithioato-kappaS,kappaS')-, (T-4)-Zinc, bis[O,O-bis(1,3-dimethylbutyl) phosphorodithioato-.kappa.S,.kappa.S']-, (T-4)-ZINC BIS(1,3-DIMETHYLBUTYL)PHOSPHORODITHIOATEzinc bis[o,o-bis(1,3-dimethylbutyl) dithiophosphate]ZINC O,O-BIS(4-METHYL-2-PENTYL)PHOSPHORODITHIOATE2-PENTANOL, 4-METHYL-, O,O-(HYDROGEN PHOSPHORODITHIOATE) ZINC SALTPHOSPHORODITHIOIC ACID, O,O-BIS(1,3-DIMETHYLBUTYL) ESTER, ZN SALTZinc, bis(O,O-bis(1,3-dimethylbutyl) phosphorodithioato-S,S')-, (beta-4)-
Database identifiers
- CAS
2215-35-2- PubChem CID
- 92171
- DTXSID
DTXSID2027460- UNII
- 5ZMG6Q6P0X
- EC Number
- 218-679-9
Properties
Computed structural properties
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 16
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 227
Experimental & physicochemical properties
Chemical ClassesMetals -> Organic Compounds, Metal Salts
Vapor Pressure0.00000009 [mmHg]
Physical Description
Liquid
Liquid; [IUCLID] Amber viscous liquid; [EPA ChAMP: Initial Risk-Based Prioritization: Supporting Documents]
Physicochemical properties
- Boiling point
- 193 ℃[at · 193℃[at 101 325 Pa]
- Density
- 1.125 · 1.125[at 20℃]
- vapor pressure
- 0.011 Pa · 0.011Pa at 25℃
- Water Solubility
- 182 mg/L · 182mg/L at 19.5℃
- LogP
- 2.21 at · 2.21 at 20℃
- FDA UNII
- 5 ZMG6Q6P0X · 5ZMG6Q6P0X
- EPA Substance Registry System
- Zinc bis[O,O-bis(1,3-dimethylbutyl) dithiophosphate] (2215-35-2)
- Symbol(GHS)
- 5 · GHS05,GHS09
- Signal word
- Danger
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
H315 (99.8%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P273, P280, P302+P352, P305+P354+P338, P317, P321, P332+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 566 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 2-Pentanol, 4-methyl-, hydrogen phosphorodithioate, zinc salt
Hazard Traits - Bioaccumulation; Environmental Persistence
Zinc, bis[O,O-bis(1,3-dimethylbutyl) phosphorodithioato-.kappa.S,.kappa.S']-, (T-4)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Zinc, bis[O,O-bis(1,3-dimethylbutyl) phosphorodithioato-.kappa.S,.kappa.S']-, (T-4)- 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)
REACH registered substance: Zinc O,O,O',O'-tetrakis(1,3-dimethylbutyl) bis(phosphorodithioate) (EC: 218-679-9)
Zinc, bis[O,O-bis(1,3-dimethylbutyl) phosphorodithioato-.kappa.S,.kappa.S']-, (T-4)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - 2-Pentanol, 4-methyl-, hydrogen phosphorodithioate, zinc salt: Human health tier I assessment
Hazards Summary
Oral LD50 (rat) = 2,000-5,000 mg/kg; Causes skin and mild to moderate eye irritation in rabbits; Not a skin sensitizer in guinea pigs using the Buehler test; Skin necrosis and possible adverse effects on male reproductive system observed in 3-week dermal study of rabbits; [IUCLID] Members of the zinc dialkyldithiophosphates (ZDDP) category demonstrate low acute oral and dermal toxicity; Moderate systemic toxicity in repeated-dose oral and dermal studies; Moderate systemic toxicity in adults, moderate postnatal developmental toxicity, and no effects on reproductive parameters or reproductive organs in an oral combined reproductive/developmental study of rats; Moderate male reproductive organ toxicity in several repeated-dose dermal studies of rabbits; [EPA ChAMP: Initial Risk-Based Prioritization: Supporting Documents] See Zinc dialkyldithiophosphates. See Zinc.
Chemistry & industry
Uses & manufacturing
UsesUsed as multi-functional anti-wear agents and antioxidants for gasoline and diesel motor oils and industrial oils; [EPA ChAMP: Initial Risk-Based Prioritization: Supporting Documents]
U.S. Production2023: 10,000,000 - <25,000,000 lb
Consumer UsesLubricating agent
Industry UsesLubricating agent
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing
Zinc, bis[O,O-bis(1,3-dimethylbutyl) phosphorodithioato-.kappa.S,.kappa.S']-, (T-4)-: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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