Basic information
- CAS
26644-00-8- Standard SMILES
COP(=O)(O)OP(=O)(O)OC- InChIKey
BPNLLIHZSAFABG-UHFFFAOYSA-N- Molecular formula
- C2H8O7P2
- Average molar mass
- 206.03 g/mol
- Monoisotopic mass
- 205.97452659
Overview
Dimethyl acid pyrophosphate appears as a liquid. Noncombustible. May severely irritate skin, eyes and mucous membranes. Avoid contact.
Names & identifiers
- Preferred name
- Dimethyl acid pyrophosphate
- IUPAC
- [hydroxy(methoxy)phosphoryl] methyl hydrogen phosphate
- English name
- Dimethyl acid pyrophosphate
- Molecular formula
- C2H8O7P2
- Molecular weight
- 206.03
Names & synonyms
Dimethyl acid pyrophosphate26644-00-8Dimethyl dihydrogen diphosphateP,P'-Dimethyl diphosphateP,P'-Dimethyl pyrophosphateDTXSID2044632Cycate 296.9Pyrophosphoric acid dimethyl esterDiphosphoric acid, P,P'-dimethyl ester1R9ZEZ483SEINECS 247-871-5NSC 96609
Show more names
DIMETHYL PYROPHOSPHATEP1,P2-Dimethyl diphosphateDiphosphoric acid, P,P-dimethyl esterDimethyl acid pyrophosphate in isobutanolDiphosphoric acid dihydrogen α,β-dimethyl esterhydroxy(methoxy)phosphoryl]methylhydrogenphosphate
NSC-96609P,P'-Dimethyl dihydrogen diphosphatePyrophosphoric acid, P,P'-dimethyl esterAI3-15042DTXCID0024632RefChem:588242268-993-568155-93-126644-00-8
Database identifiers
- CAS
26644-00-8、68155-93-1- PubChem CID
- 97004
Properties
Computed structural properties
- XLogP
- -2.1
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 188
Experimental & physicochemical properties
Physical Description
Dimethyl acid pyrophosphate appears as a liquid. Noncombustible. May severely irritate skin, eyes and mucous membranes. Avoid contact.
Liquid
Physicochemical properties
- Boiling point
- 313.5 · 313.5±25.0 °C(Predicted)
- Density
- 1.662 · 1.662±0.06 g/cm3(Predicted)
- pka
- 0.77 · 0.77±0.50(Predicted)
- FDA UNII
- 1 R9ZEZ483S · 1R9ZEZ483S
- EPA Substance Registry System
- P,P'-Dimethyl diphosphate (26644-00-8)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
- 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.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 4.9% (6 of 123) of reports.
Danger
H301 (33.3%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P261, P264, P270, P272, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 123 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Diphosphoric acid, P,P'-dimethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Diphosphoric acid, P,P'-dimethyl ester 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)
Diphosphoric acid, P,P'-dimethyl ester: 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.
DOT LabelCorrosive
Fire HazardsExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Health HazardsExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Reactive GroupEsters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
Reactivity Profile
Organophosphates are susceptible to formation of highly toxic and flammable phosphine gas in the presence of strong reducing agents such as hydrides. Partial oxidation by oxidizing agents may result in the release of toxic phosphorus oxides.
Chemistry & industry
Uses & manufacturing
U.S. Production2023: <25,000 lb
Consumer UsesSurfactant (surface active agent)
Industry UsesSurfactant (surface active agent)
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing
Diphosphoric acid, P,P'-dimethyl ester: ACTIVE
Suppliers2 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…