Basic information
- CAS
12645-31-7- Standard SMILES
CCCCC(CC)CO.O=P(O)(O)O- InChIKey
FZQYZMODYSBPES-UHFFFAOYSA-N- Molecular formula
- C8H21O5P
- Average molar mass
- 228.22 g/mol
- Monoisotopic mass
- 228.11266076
Names & identifiers
- Preferred name
- 2-Ethylhexyl phosphate (mixed isomers)
- IUPAC
- 2-ethylhexan-1-ol;phosphoric acid
- English name
- PHOSPHORIC ACID 2-ETHYLHEXYL ESTER
- Molecular formula
- C8H21O5P
- Molecular weight
- 228.22
Names & synonyms
2-Ethylhexanol phosphatePhosphated 2-ethyl hexanolEINECS 235-741-02-Ethylhexanol, phosphateS47Z02037EEC 235-741-0HOSTAPHAT MDAHRefChem:472002235-741-012645-31-7Phosphoric acid, 2-ethylhexyl esterSCHEMBL4760542
Show more names
PHOSPHORIC ACID OCTYL ESTER2-ethylhexyl dihydrogen phosphateOCTYL PHOSPHATEOCTYL ACID PHOSPHATEEthylhexyl phosphoratePHOSPHORIC ACID 2-ETHYL2-Ethylhexyl Phosphate phosphoricacidethylhexylester2-ethylhexyl phosphate cheesePhosphorsure, 2-Ethylhexylester
UNII-S47Z02037E
Database identifiers
- CAS
12645-31-7- PubChem CID
- 83024
- EC Number
- 235-741-0
Properties
Computed structural properties
- Topological polar surface area
- 98 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 102
Experimental & physicochemical properties
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical DescriptionLiquid; CBI
Physicochemical properties
- Density
- 1 · 1,01 g/cm3
- vapor pressure
- 0.085 Pa · 0.085Pa at 25℃
- refractive index
- 1.44 · 1.4400-1.4460
- Flash point
- 100 °C · >100°C
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- soluble in Toluene,Ethanol
- form
- clear liquid
- pka
- 3.1 · 3.1[at 20 ℃]
- color
- Colorless to Light yellow to Light orange
- PH
- 2.3 · 2.3 (10g/l, H2O, 20°C) (as an emulsion)
- Viscosity
- 206 mm2/s · 206mm2/s
- Water Solubility
- 5.95 μg/L · 5.95μg/L at 20℃
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 0.4% (5 of 1202) of reports.
Danger
H302 (37.8%): 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, P321, P330, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1202 reports by companies from 19 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Phosphoric acid, 2-ethylhexyl ester
Phosphoric acid, 2-ethylhexyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phosphoric acid, 2-ethylhexyl ester 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: Phosphoric acid, 2-ethylhexyl ester (EC: 235-741-0)
Phosphoric acid, 2-ethylhexyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (37.8%)
Safety data
- wgk
- WGK 1 slightly water endangering
- tsca
- TSCA listed
- ridadr
- 3265
- hs_code
- 2919 90 00
- Toxicity
- LD50 orally in Rabbit: 3000 mg/kg
- risk_code
- 34
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 4,000,000 - <5,500,000 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesAnti-stain agent
General Manufacturing Information
Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing
Phosphoric acid, 2-ethylhexyl ester: ACTIVE
Applications
UsesPHOSPHORIC ACID 2-ETHYLHEXYL ESTER is used for the separation of rare earth, cobalt, nickel and other metals, and can be used as a rare earth metal extractant and a plasticizer.
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
南通鲁尔化工有限公司18012215199 · [email protected]
桑达化工（南通）有限公司0513-88168817 13862717117 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…