Tris(2-ethylhexyl) phosphate

HCID 6537CAS 78-42-2

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Basic information

Standard SMILES: CCCCC(CC)COP(=O)(OCC(CC)CCCC)OCC(CC)CCCC
InChIKey: GTVWRXDRKAHEAD-UHFFFAOYSA-N
Molecular formula: C24H51O4P
Average molar mass: 434.642 g/mol
Monoisotopic mass: 434.35249674

Names & identifiers

Preferred name: Tris(2-ethylhexyl) phosphate
IUPAC: Tris(2-ethylhexyl) phosphate
English name: Tris(2-ethylhexyl) phosphate
Molecular formula: C24H51O4P
Molecular weight: 434.63

Names & synonyms

TOPTRIOCTYL PHOSPHATETRIS(2-ETHYLHEXYL) PHOSPHATETEHPTRI(2-AmgardTOFflexoltofFlexol TOFNCI-C54751kronitextof

Database identifiers

CAS: 78-42-2
PubChem CID: 6537
DTXSID: DTXSID0021414
ChEMBL: CHEMBL1562290
ChEBI: CHEBI:181994
UNII: BQC0BKB72S
EC Number: 201-116-6
Nikkaji: J1.953D

Properties

Physicochemical properties

Melting point: -70 °C · -70°C
Boiling point: 215 °C4 · 215 °C4 mm Hg(lit.)
Density: 0.92 g/mL · 0.92 g/mL at 20 °C(lit.)
vapor pressure: 2.1 mm · 2.1 mm Hg ( 20 °C)
refractive index: 20 · n20/D 1.444(lit.)
Flash point: 230 °F · >230 °F
storage temp.: 30 °C · Store below +30°C.
solubility: 0.001 g/l · <0.001g/l
form: Liquid
Specific Gravity: 0.93 · 0.93
color: Colourless
PH: 7 · 7 (H2O, 20℃)
Water Solubility: 0.1 g/100 · <0.1 g/100 mL at 18 ºC
BRN: 1715839 · 1715839
Henry's Law Constant: 1.2 · 1.2×102 mol/(m3Pa) at 25℃, HSDB (2015)
InChI: 1S/C24H51O4P/c1-7-13-16-22(10-4)19-26-29(25,27-20-23(11-5)17-14-8-2)28-21-24(12-6)18-15-9-3/h22-24H,7-21H2,1-6H3
InChIKey: GTVWRXDRKAHEAD-UHFFFAOYSA-N
SMILES: CCCCC(CC)COP(=O)(OCC(CC)CCCC)OCC(CC)CCCC
Toxicology and Carcinogenesis: Toxicology and Carcinogenesis Studies of Tris(2-ethylhexyl)phosphate (CASRN 78-42-2) in F344/N Rats and B6C3F1 Mice (Gavage Studies)
FDA 21 CFR: 175.105 · 175.105; 176.180; 176.210
Indirect Additives used in Food Contact Substances: TRI(2-ETHYLHEXYL) PHOSPHATE
CAS DataBase Reference: 78 · 78-42-2(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 0 BKB72S · BQC0BKB72S
NIST Chemistry Reference: 2 · 2-Ethylhexanol phosphate (3:1)(78-42-2)
EPA Substance Registry System: Tris(2-ethylhexyl) phosphate (78-42-2)
ECETOC JACC REPORT: Tris(2-ethylhexyl) phosphate (78-42-2)
UNSPSC Code: 26111700 · 26111700
NACRES: 61 · NB.61
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315
Precautionary statements: 264 · P264-P280-P302+P352-P332+P313-P362+P364
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 38 · 38
Safety Statements: 23 · 23-43-24/25
WGK Germany: 2 · 2
RTECS: 770000 · MP0770000
Autoignition Temperature: 370 °C · 370 °C
TSCA: TSCA listed
HS Code: 29190090 · 29190090
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 2 · Skin Irrit. 2
Hazardous Substances Data: 78 · 78-42-2(Hazardous Substances Data)
Toxicity: 50 orally · LD50 orally in Rabbit: 37000 mg/kg LD50 dermal Rabbit 20000 mg/kg
REACH Registrations: Active

Safety & regulation

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 2
tsca: TSCA listed
rtecs: MP0770000
hs_code: 29190090
Toxicity: LD50 orally in Rabbit: 37000 mg/kg LD50 dermal Rabbit 20000 mg/kg
risk_code: 38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 23-43-24/25
Storage Class: 10 - Combustible liquids
Hazard statements: H315
REACH Registrations: Active
Hazard Classifications: Skin Irrit. 2
Autoignition Temperature: 370 °C
Precautionary statements: P264-P280-P302+P352-P332+P313-P362+P364
Hazardous Substances Data: 78-42-2(Hazardous Substances Data)

Chemistry & industry

Applications · 3 items

UsesTris(2-ethylhexyl) Phosphate is used as a phosphorous flame retardant. Used as a plasticizer in the preparation of a new potentiometric membrane sensor.

UsesSolvent, antifoaming agent, plasticizer.

General DescriptionClear colorless to pale yellow liquid with a slight sharp odor. Insoluble in water; Soluble in alcohol, acetone, and ether. Combustible.

Upstream & downstream products

Upstream raw materials

2-Ethylhexanol Phosphorus oxitrichloride

Downstream products

Hydrogen peroxide

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

河北创海生物科技有限公司+86-86-13131129325 · [email protected]

Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]

Additional notes

DefinitionChEBI: Tris(2-ethylhexyl) phosphate is a trialkyl phosphate.

Related reactions

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