Dioctyl phenylphosphonate
Basic information
- CAS
1754-47-8- Standard SMILES
CCCCCCCCOP(=O)(OCCCCCCCC)c1ccccc1- InChIKey
HAKMAMKAFTZXOZ-UHFFFAOYSA-N- Molecular formula
- C22H39O3P
- Average molar mass
- 382.5 g/mol
- Monoisotopic mass
- 382.2636821
Names & identifiers
- Preferred name
- Dioctyl phenylphosphonate
- IUPAC
- dioctoxyphosphorylbenzene
- English name
- Dioctyl phenylphosphonate
- Molecular formula
- C22H39O3P
- Molecular weight
- 382.52
Names & synonyms
Dioctyl phenylphosphonate1754-47-8DioctylphenylphosphonatePhosphonic acid, P-phenyl-, dioctyl esterPhenylphosphonic acid dioctyl esterDIOCTYL PHENYL PHOSPHONATEPhosphonic acid, phenyl-, dioctyl esterBenzenephosphonic acid, dioctyl esterDED9LW93GMNSC-3224DTXSID1061946RefChem:588742
Show more names
ioctoxyphosphorylbenzeneDioctyl phenylphosphonate,98%Phenylphosphonic acid dioctylDioctyl phenylphosphonate 95%phenyl-phosphonicacidioctylesterphenylphosphonicaciddioctylester
DTXCID1035577217-142-6dioctoxyphosphorylbenzenedi-n-Octyl phenylphosphonateDOPPDi-n-octyl phenyl phosphonateMFCD00009561NSC 3224
Database identifiers
- CAS
1754-47-8- PubChem CID
- 15641
- DTXSID
DTXSID1061946- UNII
- DED9LW93GM
- EC Number
- 217-142-6
- Nikkaji
- J50.308H
Properties
Computed structural properties
- XLogP
- 7.9
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 17
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 331
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Organophosphates, Other
Vapor Pressure0.00000195 [mmHg]
Physical DescriptionColorless or pale yellow liquid; [Alfa Aesar MSDS]
Physicochemical properties
- Boiling point
- 207 °C4 · 207 °C4 mm Hg(lit.)
- Density
- 0.967 g/mL · 0.967 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.478(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- Miscible with tetrahydrofuran.
- form
- liquid
- Specific Gravity
- 0.932 · 0.932
- Water Solubility
- 0.2 g/L · <0.2g/L(25 ºC)
- BRN
- 2948496 · 2948496
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Hazards SummaryIntravenous LDLo (mouse) = 100 mg/kg; [RTECS] May cause irritation; [Alfa Aesar MSDS] See Dimethyl methylphosphonate, Dibutyl butylphosphonate, and Diethyl ethylphosphonate.
Safety data
- PPE
- Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- TA0379000
- safety_code
- 24/25
- Storage Class
- 10 - Combustible liquids
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhosphonic acid, P-phenyl-, dioctyl ester: ACTIVE
Applications
UsesDioctyl Phenylphosphonate is a taste sensor, or a constituent of a receptor membrane of a taste sensor use in tasting substances.
UsesDioctyl phenylphosphonate (DOPP) was used as plasticizer, in an experiment conducted for designing iron ion sensor based on functionalised ZnO (Zinc Oxide) nanorods. It was also used in Raman and UV-vis spectroscopic study, of polyaniline (PANI) membranes containing different amounts of a bulky lipophilic cationic additive, tridodecylmethylammonium chloride (TDMACl).
General DescriptionDioctyl phenylphosphonate is a plasticizer.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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