Basic information
- CAS
5116-95-0- Standard SMILES
CCCCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCCCC- InChIKey
XEJNLUBEFCNORG-UHFFFAOYSA-N- Molecular formula
- C26H55O4P
- Average molar mass
- 462.7 g/mol
- Monoisotopic mass
- 462.38379723
Names & identifiers
- Preferred name
- Bis(tridecan-1-yl) hydrogen phosphate
- IUPAC
- ditridecyl hydrogen phosphate
- English name
- bis(tridecan-1-yl) hydrogen phosphate
- Molecular formula
- C26H55O4P
- Molecular weight
- 462.69
Names & synonyms
ditridecyl hydrogen phosphate5116-95-0Ditridecyl phosphateBis(tridecan-1-yl) hydrogen phosphateDitridecyl acid phosphate1-Tridecanol, hydrogen phosphateEINECS 225-851-7EINECS 273-250-31-Tridecanol, 1,1'-(hydrogen phosphate)Di(tridecyl)acid phosphatedi(tridecyl) phosphoric acidSCHEMBL338224
Show more names
1-Tridecanol,hydrogen phosphatePhosphoric acid ditridecyl esterPhosphoric acid bis(tridecyl) esterPhosphoric acid hydrogen ditridecyl ester
DTXSID60863491XEJNLUBEFCNORG-UHFFFAOYSA-N68954-77-8DB-230019NS00044671
Database identifiers
- CAS
5116-95-0、68954-77-8- PubChem CID
- 62563
- DTXSID
DTXSID60863491- EC Number
- 225-851-7、273-250-3
- Nikkaji
- J203.312G
Properties
Computed structural properties
- XLogP
- 11.2
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 26
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 358
Physicochemical properties
- Boiling point
- 532.1 · 532.1±33.0 °C(Predicted)
- Density
- 0.94 · 0.940±0.06 g/cm3(Predicted)
- pka
- 1.5 · 1.50±0.50(Predicted)
- EPA Substance Registry System
- Ditridecyl phosphate (5116-95-0)
- 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 100% (441 of 441) of all reports.
Not Classified
Aggregated GHS information provided per 441 reports by companies from 1 notifications to the ECHA C&L Inventory.
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Hazard information
Regulatory Information
Chemical: 1-Tridecanol, 1,1'-(hydrogen phosphate)
Chemical: Phosphoric acid, di-C8-18-alkyl esters
Phosphoric acid, di-C8-18-alkyl esters: 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.
Hazard Classes and Categories
Skin Corr. 1B (100%)
Not Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Tridecanol, 1,1'-(hydrogen phosphate): ACTIVE
Suppliers1 total
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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