Basic information
- CAS
4724-48-5- Standard SMILES
CCCCCCCCP(=O)(O)O- InChIKey
NJGCRMAPOWGWMW-UHFFFAOYSA-N- Molecular formula
- C8H19O3P
- Average molar mass
- 194.21 g/mol
- Monoisotopic mass
- 194.10718146
Names & identifiers
- Preferred name
- Octylphosphonic acid
- IUPAC
- octylphosphonic acid
- English name
- n-Octylphosphonic acid
- Molecular formula
- C8H19O3P
- Molecular weight
- 194.21
Names & synonyms
Octylphosphonic acidn-Octylphosphonic Acid4724-48-5Phosphonic acid, octyl-Phosphonic acid, P-octyl-95C2AW87BODTXSID3044679DTXCID1024679RefChem:167920225-218-51-OCTYLPHOSPHONIC ACID1-Octanephosphonic acid
Show more names
EBD27226KSC492M8PTox21_302242DSSTox_CID_24679DSSTox_RID_80391Octylphosphonsure1-octyl phosphateDSSTox_GSID_44679octyl-phosphonicaci
MFCD00015841UNII-95C2AW87BOEINECS 225-218-5AI3-22858EC 225-218-5N-OCTYLPHOSPHONICACIDN-Octylphosphonic acid mixtureoctanephosphonic acid
Database identifiers
- CAS
4724-48-5- PubChem CID
- 78452
- DTXSID
DTXSID3044679- ChEMBL
CHEMBL3182594- UNII
- 95C2AW87BO
- EC Number
- 225-218-5
- Nikkaji
- J262.410I
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 141
Experimental & physicochemical properties
Food Contact Substances
FCS -> FDA Cumulative Estimated Daily Intake (CEDI)
FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications
FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications
FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications
Physical DescriptionLiquid; Dry Powder
Collision Cross Section149.9 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID3044679]
Physicochemical properties
- Melting point
- 100 · 100-102°C
- Boiling point
- 170 °C · 170 °C(Press: 0.05 Torr)
- Density
- 1.08 · 1.080±0.06 g/cm3(Predicted)
- vapor pressure
- 0 Pa · 0Pa at 25℃
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- soluble in Methanol
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
H302 (85.9%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 384 reports by companies from 17 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Phosphonic acid, octyl-
Phosphonic acid, P-octyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phosphonic acid, P-octyl- 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: Octylphosphonic acid (EC: 225-218-5)
Phosphonic acid, octyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (85.9%)
Safety data
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 3261 8 / PGII
- hs_code
- 29319090
- risk_code
- 36/37/38-48/22-34-22
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07,GHS08
- hazard_code
- C
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 50,000 - <250,000 lb
Consumer UsesPigment
Industry UsesCorrosion inhibitor
Household ProductsInformation on 12 consumer products that contain Octylphosphonic acid in the following categories is provided:
General Manufacturing Information
Plastics Product Manufacturing
Phosphonic acid, P-octyl-: ACTIVE
Applications
Uses1-Octylphosphonic acid is a basic building block and used in the preparation of various pharmaceutical compounds and chemical products. It is supported with calcium hydroxyapatite and used in the dental field as corrosion inhibitor and organic building block. It acts as a corrosion inhibitor in metallic household surfaces such as faucets and drains as well as prevents the rusting of can or dispenser. It is also used in the synthesis of octyl-phosphonic acid dimethyl ester by reacting with iodomethane in presence of CS2 CO3.
UsesOPA can be used as a surfactant that may be added to silver (Ag)/titanium oxide (TiO2) for uniform dispersion into the polymeric matrix. It may be coated on indium-tin oxide (ITO) substrates, which can be used for super-resolution microscopy. OPA based charge blocking layer may be used to prevent leakage of current in a hybrid dielectric film.
General DescriptionOctylphosphonic acid (OPA) forms a self-assembled monolayer (SAM), which serves as a protective anti-corrosive phosphonate layer on a variety of surfaces.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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