Triisopropyl phosphate
Basic information
- CAS
513-02-0- Standard SMILES
CC(C)OP(=O)(OC(C)C)OC(C)C- InChIKey
OXFUXNFMHFCELM-UHFFFAOYSA-N- Molecular formula
- C9H21O4P
- Average molar mass
- 224.23 g/mol
- Monoisotopic mass
- 224.11774578
Names & identifiers
- Preferred name
- Triisopropyl phosphate
- IUPAC
- tripropan-2-yl phosphate
- English name
- Triisopropyl phosphate
- Molecular formula
- C9H21O4P
- Molecular weight
- 224.23
Names & synonyms
Triisopropyl phosphate513-02-0Phosphoric acid, tris(1-methylethyl) esterDTXSID90199295NSC-46370NSC-62275PPV29GU295RefChem:899679DTXCID20121786208-150-0Triisopropylphosphatetripropan-2-yl phosphate
Show more names
NSC 62275NSC 46370Triisoproyl phosphateripropan-2-ylphosphateTrisisopropyl phosphateTriisopropyl phosphate 95%Tenofovir disoproxil Impurity 57
phosphoric acid triisopropyl esterMFCD00015490Phosphoric acid, triisopropyl esterNCIOpen2_002645SCHEMBL80155Isopropyl phosphate, (C3H7O)3POTriisopropyl phosphate, analytical standardCS-0160289
Database identifiers
- CAS
513-02-0- PubChem CID
- 68188
- DTXSID
DTXSID90199295- UNII
- PPV29GU295
- EC Number
- 208-150-0
- Nikkaji
- J182.267E
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 168
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Organophosphates, Other
SpringerMaterials PropertiesOptical coefficient
Physical DescriptionColorless liquid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Boiling point
- 224 °C · 224 °C(lit.)
- Density
- 0.97 g/mL · 0.970 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.4070(lit.)
- Flash point
- 23 °C · 23 °C
- solubility
- Chloroform (Slightly), Methanol (Sparingly)
- form
- Oil
- color
- Colourless
- InChI
- 1S/C9H21O4P/c1-7(2)11-14(10,12-8(3)4)13-9(5)6/h7-9H,1-6H3
- InChIKey
- OXFUXNFMHFCELM-UHFFFAOYSA-N
- SMILES
- CC(C)OP(=O)(OC(C)C)OC(C)C
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
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P273, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 76 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationPhosphoric acid, tris(1-methylethyl) 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.
Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS] See Isobutyl phosphate, and Trioctyl phosphate, Triethyl phosphate, Tributyl phosphate, and Trimethyl phosphate.
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 1993 3/PG 2
- risk_code
- 10-36/37/38-50
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07,GHS09
- hazard_code
- Xi
- safety_code
Chemistry & industry
Applications
UsesTriisopropyl phosphate may be used as an analytical reference standard for the quantification of the analyte in petroleum samples and crude oil using two-dimensional gas chromatography technique.
General DescriptionTriisopropyl phosphate is an alkyl phosphate commonly found in petroleum and crude oil products.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
2 records
Compound notes
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