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| CAS No.: | 126-71-6 |
|---|---|
| Name: | Triisobutyl phosphate |
| Molecular Structure: | |
|
|
|
| Formula: | C12H27O4P |
| Molecular Weight: | 266.318 |
| Synonyms: | Isobutylphosphate ((C4H9O)3PO) (6CI,7CI);Phosphoric acid, triisobutyl ester (8CI);Antifoam TIP;Daiguard 400;NSC 62222;Reomol TIBP; |
| EINECS: | 204-798-3 |
| Density: | 0.982 g/cm3 |
| Boiling Point: | 261.2 ºC at 760 mmHg |
| Flash Point: | 125.8 ºC |
| Solubility: | 264mg/L at 25℃ |
| Appearance: | Colorless transparent liquid |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 43 |
| Safety: | 36/37 |
| PSA: | 54.57000 |
| LogP: | 4.11230 |
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- 78-83-1
2-methyl-propan-1-ol
A
- 126-71-6
triisobutyl phosphate
B
- 3846-81-9
diphosphoric acid tetraisobutyl ester
| Conditions | Yield |
|---|---|
| With phosphorous; tetraethylammonium iodide In water at 50℃; Electrolysis; | A 4% B 81% |
- 78-83-1
2-methyl-propan-1-ol
A
- 1189-24-8
diisobutyl phosphite
B
- 6303-30-6
diisobutyl phosphoric acid
C
- 126-71-6
triisobutyl phosphate
| Conditions | Yield |
|---|---|
| With sodium hypophosphite; copper dichloride at 24.9℃; for 148h; | A 5.6% B 66.6% C 27.8% |
| Conditions | Yield |
|---|---|
| With pyridine; trichlorophosphate; benzene | |
| With argon; phosphan; copper(l) chloride; copper dichloride In acetonitrile | |
| With argon; phosphan; copper(l) chloride; copper dichloride In acetonitrile at 24.9℃; Rate constant; Thermodynamic data; Product distribution; E(excit.), ΔS(excit.); |
- 13259-29-5
sodium isobutoxide
- 126-71-6
triisobutyl phosphate
| Conditions | Yield |
|---|---|
| With diethyl ether; trichlorophosphate | |
| With phosphorus trichloride |
| Conditions | Yield |
|---|---|
| With 2-methyl-propan-1-ol; chlorine |
- 1606-96-8
triisobutyl phosphite
A
- 126-71-6
triisobutyl phosphate
B
- 3846-81-9
diphosphoric acid tetraisobutyl ester
| Conditions | Yield |
|---|---|
| With iodoacetophenone; silver perchlorate In benzene for 0.316667h; Title compound not separated from byproducts; |
- 17158-87-1
phosphorochloridic acid diisobutyl ester
- 78-83-1
2-methyl-propan-1-ol
- 126-71-6
triisobutyl phosphate
| Conditions | Yield |
|---|---|
| at 60℃; Rate constant; Thermodynamic data; activation energy, activation enthalpy, other temperature (40, 50, 70, 80 deg C); |
| Conditions | Yield |
|---|---|
| With phosphan; copper dichloride In N,N-dimethyl-formamide at 59.9℃; |
| Conditions | Yield |
|---|---|
| With phosphan; chlorine at 20℃; Rate constant; Thermodynamic data; Ea, ΔS(excit.); var. temp.; also in the presence of pyridine; |
- 13529-77-6
phosphonic acid diisobutyl ester
A
- 126-71-6
triisobutyl phosphate
B
- 75340-94-2
diphosphorus (IV)-oic acid tetraisobutyl ester
C
- 3846-81-9
diphosphoric acid tetraisobutyl ester
| Conditions | Yield |
|---|---|
| With sodium perchlorate In acetonitrile electrochemical oxidation, 2.4 A h; Pt anode, Ni cathode; Ag/AgNO3 reference electrode; Title compound not separated from byproducts; |
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Chemistry
Molecule structure of Isobutyl phosphate (CAS NO.126-71-6):
IUPAC Name: Tris(2-methylpropyl) phosphate
Molecular Weight: 266.314141 g/mol
Molecular Formula: C12H27O4P
Density: 0.982 g/cm3
Boiling Point: 261.2 °C at 760 mmHg
Flash Point: 125.8 °C
Index of Refraction: 1.427
Molar Refractivity: 69.62 cm3
Molar Volume: 270.9 cm3
Surface Tension: 29.7 dyne/cm
Enthalpy of Vaporization: 47.88 kJ/mol
Vapour Pressure: 0.0191 mmHg at 25 °C
XLogP3-AA: 3.5
H-Bond Acceptor: 4
Rotatable Bond Count: 9
Exact Mass: 266.164696
MonoIsotopic Mass: 266.164696
Topological Polar Surface Area: 44.8
Heavy Atom Count: 17
Canonical SMILES: CC(C)COP(=O)(OCC(C)C)OCC(C)C
InChI: InChI=1S/C12H27O4P/c1-10(2)7-14-17(13,15-8-11(3)4)16-9-12(5)6/h10-12H,7-9H2,1-6H3
InChIKey: HRKAMJBPFPHCSD-UHFFFAOYSA-N
EINECS: 204-798-3
Classification Code: Skin / Eye Irritant
Uses
Isobutyl phosphate (CAS NO.126-71-6) is used as textile auxiliaries, wetting agent and dye auxiliary.
Toxicity Data With Reference
| 1. | orl-rat LD50:>5 g/kg | AIHAAP American Industrial Hygiene Association Journal. 34 (1973),286. | ||
| 2. | ihl-rat LC:>122 ppm/6H | AIHAAP American Industrial Hygiene Association Journal. 34 (1973),286. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Hazard Codes: 
Xi
Risk Statements: 43
R43:May cause sensitization by skin contact.
Safety Statements: 36/37
S36/37:Wear suitable protective clothing and gloves.
WGK Germany: 1
RTECS: TC9300000
Moderately toxic by inhalation. Low toxicity by ingestion. When heated to decomposition it emits toxic vapors of POx.
Specification
Isobutyl phosphate (CAS NO.126-71-6) is also named as 4-01-00-01598 (Beilstein Handbook Reference) ; AI3-07850 ; BRN 1710574 ; NSC 62222 ; Triisobutyl phosphate ; Phosphoric acid, triisobutyl ester (8CI) ; Phosphoric acid, tris(2-methylpropyl) ester .