Basic information
- CAS
3991-73-9- Standard SMILES
CCCCCCCCOP(=O)(O)O- InChIKey
WRKCIHRWQZQBOL-UHFFFAOYSA-N- Molecular formula
- C8H19O4P
- Average molar mass
- 210.21 g/mol
- Monoisotopic mass
- 210.10209572
Names & identifiers
- Preferred name
- Monooctyl phosphate
- IUPAC
- octyl dihydrogen phosphate
- English name
- octyl dihydrogen phosphate
- Molecular formula
- C8H19O4P
- Molecular weight
- 210.207821
Names & synonyms
Octyl dihydrogen phosphateMONOOCTYL PHOSPHATEOctylphosphatePhosphoric acid, monooctyl esterMonooctylphosphoric acidHSDB 2610EINECS 223-638-3UNII-D076LJ1H9LBRN 1707496D076LJ1H9LAI3-15053JAMP 8
Show more names
MONOOCTYLPHOSPHATEPhosphoric acid dihydrogen octyl ester
DTXSID4058605MONOOCTYL PHOSPHATE [HSDB]4-01-00-01762 (Beilstein Handbook Reference)OCTYL PHOSPHATE ((C8H17O)(HO)2PO)RefChem:159598DTXCID40322913991-73-9MFCD00235968
Database identifiers
- CAS
3991-73-9- PubChem CID
- 19892
- DTXSID
DTXSID4058605- UNII
- D076LJ1H9L
- EC Number
- 223-638-3
- Nikkaji
- J217.817F
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 154
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Organophosphates, Other
Physicochemical properties
- Boiling point
- 328.4 · 328.4±25.0 °C(Predicted)
- Density
- 1.053 g/cm3 · 1.053 g/cm3
- pka
- 1.96 · 1.96±0.10(Predicted)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 76 LJ1H9L · D076LJ1H9L
- EPA Substance Registry System
- Monooctyl phosphate (3991-73-9)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- TSCA
- TSCA listed
- Hazardous Substances Data
- 3991 · 3991-73-9(Hazardous Substances Data)
- Toxicity
- 250 mg/kg · LD orl-rat: >250 mg/kg NCNSA6 5,37,53
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 58.7% (37 of 63) of all reports.
Danger
H314 (41.3%): 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)
Aggregated GHS information provided per 63 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Phosphoric acid, monooctyl ester
Phosphoric acid, monooctyl 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.
TSCA Requirements
Section 8(a) of TSCA requires manufacturers of this chemical substance to report preliminary assessment information concerned with production, use, and exposure to EPA as cited in the preamble in 51 FR 41329.
Pursuant to section 8(d) of TSCA, EPA promulgated a model Health and Safety Data Reporting Rule. The section 8(d) model rule requires manufacturers, importers, and processors of listed chemical substances and mixtures to submit to EPA copies and lists of unpublished health and safety studies. Phosphoric acid, monooctyl ester is included on this list.
Hazard Classes and CategoriesSkin Corr. 1B (41.3%)
Safety & protection
Disposal Methods
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
Regulatory information
TSCA Requirements
Section 8(a) of TSCA requires manufacturers of this chemical substance to report preliminary assessment information concerned with production, use, and exposure to EPA as cited in the preamble in 51 FR 41329.
Pursuant to section 8(d) of TSCA, EPA promulgated a model Health and Safety Data Reporting Rule. The section 8(d) model rule requires manufacturers, importers, and processors of listed chemical substances and mixtures to submit to EPA copies and lists of unpublished health and safety studies. Phosphoric acid, monooctyl ester is included on this list.
Safety data
- tsca
- TSCA listed
- Toxicity
- LD orl-rat: >250 mg/kg NCNSA6 5,37,53
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
- Hazardous Substances Data
- 3991-73-9(Hazardous Substances Data)
Chemistry & industry
Uses & manufacturing
Uses
Used as surface-active agent (emulsifier and penetrating agent) and corrosion inhibitor; [HSDB]
SURFACE-ACTIVE AGENT (EMULSIFIER, PENETRATING AGENT); CORROSION INHIBITOR
U.S. Production
(1972) PROBABLY GREATER THAN 4.54X10+5 GRAMS
(1975) PROBABLY GREATER THAN 1.36X10+6 GRAMS
(1991) 1,027,000 kg /Decyl and octyl phosphate/
Methods of ManufacturingREACTION OF N-OCTYL ALCOHOL AND PHOSPHORUS OXYCHLORIDE
General Manufacturing Information
Phosphoric acid, monooctyl ester: ACTIVE
Related chemicals: Octyl polyphosphate and octyl polyphosphate, potassium salt were produced by Dexter Chemical Corp., Bronx, NY and Octyl polyphosphate, salts was produced by Rhone-Poulenc, Inc., Windsor Ga
Suppliers5 total
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
无锡凯德瑞医药科技有限公司19906241957 · [email protected]
Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
4 records
Compound notes
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