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| CAS No.: | 107-66-4 |
|---|---|
| Name: | Dibutyl phosphate |
| Article Data: | 44 |
| Molecular Structure: | |
|
|
|
| Formula: | C8H19O4P |
| Molecular Weight: | 210.21 |
| Synonyms: | Butylphosphate, (BuO)2(HO)PO (6CI);DP 4;DP 4 (coupling agent);Di-n-Butylphosphate;Dibutyl acid phosphate;Dibutyl hydrogen phosphate;HDBP;NSC 203039;NSC 22313; |
| EINECS: | 203-509-8 |
| Density: | 1.078 g/cm3 |
| Melting Point: | -13 °C |
| Boiling Point: | 275.3 °C at 760 mmHg |
| Flash Point: | 120.3 °C |
| Solubility: | insoluble in water |
| Appearance: | clear liquid |
| Hazard Symbols: |
 Xi,  C
|
| Risk Codes: | 37/38-41-38-34 |
| Safety: | 26-39-45-36/37/39-25 |
| Transport Information: | UN 3261 |
| PSA: | 65.57000 |
| LogP: | 2.72020 |
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| Conditions | Yield |
|---|---|
| With sodium hydroxide In ethanol; water for 2.5h; Heating; | 97% |
| With sodium hydroxide | |
| With hydrogenchloride In hydrogenchloride byproducts: C4H9Cl; hydrolysis of TBP in concd. HCl;; hydrolytic decompn. of 18.5 % TBP in 6 days at ambient temp.;; | |
| With HCl In hydrogenchloride byproducts: C4H9Cl; hydrolysis of TBP in concd. HCl;; hydrolytic decompn. of 18.5 % TBP in 6 days at ambient temp.;; |
- 71-36-3
butan-1-ol
A
- 1623-15-0
n-butyl phosphoric acid
B
- 126-73-8
phosphoric acid tributyl ester
C
- 107-66-4
dibutyl phosphate
| Conditions | Yield |
|---|---|
| With phosphorus; tetraethylammonium iodide In water; acetonitrile electrolysis; | A n/a B 87% C n/a |
| Conditions | Yield |
|---|---|
| With sodium bromate; phosphan at 80℃; Kinetics; Condensation; | A 20% B 80% |
| With sodium hypophosphite; copper dichloride at 24.9℃; for 4h; | A 22.2% B 77.8% |
| With phosphorous; air; ruthenium hydroxide trichloride; copper dichloride at 80℃; oxidative alkoxylation; | A 33.7% B 11.3% |
- 38257-85-1
Di-n-butyl-(o-hydroxy-phenyl)-phosphat
- 107-66-4
dibutyl phosphate
| Conditions | Yield |
|---|---|
| With [bis(acetoxy)iodo]benzene; water In acetonitrile at 20℃; for 1h; oxidative cleavage; | 72% |
| Conditions | Yield |
|---|---|
| With oxygen; hypophosphorous acid; copper dichloride at 50℃; for 6h; | A 4% B 48% |
| Conditions | Yield |
|---|---|
| With sodium hydroxide In tetrahydrofuran; water at 0℃; | 46% |
| With water beim Erhitzen; | |
| With water In toluene for 1h; Reflux; | 29.5 g |
- 121252-83-3
N-prolyl>proline
A
- 121252-84-4
(R)-1-[(R)-1-(Dibutoxy-phosphoryl)-pyrrolidine-2-carbonyl]-pyrrolidine-2-carboxylic acid butyl ester
B
- 107-66-4
dibutyl phosphate
C
- 19943-27-2
rac-octahydrodipyrrolo[1,2-a:1',2'-d]pyrazine-5,10-dione
| Conditions | Yield |
|---|---|
| With butan-1-ol at 105 - 110℃; for 6h; | A 28.6% B 25% C 42% |
- 121252-83-3
N-prolyl>proline
- 71-36-3
butan-1-ol
A
- 121252-84-4
(R)-1-[(R)-1-(Dibutoxy-phosphoryl)-pyrrolidine-2-carbonyl]-pyrrolidine-2-carboxylic acid butyl ester
B
- 107-66-4
dibutyl phosphate
C
- 19943-27-2
rac-octahydrodipyrrolo[1,2-a:1',2'-d]pyrazine-5,10-dione
| Conditions | Yield |
|---|---|
| at 105 - 110℃; for 6h; | A 28.6% B 25% C 42% |
| Conditions | Yield |
|---|---|
| With ethanol Hydrogenation.an Platin; |
| Conditions | Yield |
|---|---|
| With water; trichlorophosphate | |
| With triethylamine; trichlorophosphate In toluene at 60℃; for 1h; |
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Consensus Reports
Reported in EPA TSCA Inventory.
Standards and Recommendations
OSHA PEL: TWA 1 ppm; STEL 2 ppm
ACGIH TLV: TWA 1 ppm; STEL 2 ppm
Analytical Methods
For occupational chemical analysis use NIOSH: Dibutyl Phosphate, 5017.
Specification
The Dibutyl phosphate is an organic compound with the formula C8H19O4P. The IUPAC name of this chemical is dibutyl hydrogen phosphate. With the CAS registry number 107-66-4 and EINECS 203-509-8, it is also named as Di-n-butyl hydrogen phosphate. It is clear liquid which is insoluble in water and soluble in diethyl ether, carbon tetrachloride and other organic solvents. What's more, it is toxic and flammable. When heated to decomposition it emits toxic fumes of POx. So the storage environment should be well-ventilated, low-temperature and dry. Keep Dibutyl phosphate separate from raw materials of food.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.17; (4)ACD/LogD (pH 7.4): -1.3; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 54.57 Å2; (13)Index of Refraction: 1.436; (14)Molar Refractivity: 51.01 cm3; (15)Molar Volume: 194.9 cm3; (16)Polarizability: 20.22×10-24 cm3; (17)Surface Tension: 36.3 dyne/cm; (18)Density: 1.078 g/cm3; (19)Flash Point: 120.3 °C; (20)Enthalpy of Vaporization: 56.54 kJ/mol; (21)Boiling Point: 275.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00141 mmHg at 25°C.
Uses of Dibutyl phosphate: It is used as extraction agent of uranium and thorium. It also can react with 2-iodo-propane to get phosphoric acid dibutyl ester isopropyl ester. This reaction needs reagent CsF and solvent acetonitrile at ambient temperature. The reaction time is 6 hours. The yield is 96%.
When you are using this chemical, please be cautious about it as the following:
It can cause burns and is irritating to respiratory system and skin. It also has risk of serious damage to the eyes, so people should avoid contact with eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
People can use the following data to convert to the molecule structure.
1. SMILES:O=P(OCCCC)(OCCCC)O
2. InChI:InChI=1/C8H19O4P/c1-3-5-7-11-13(9,10)12-8-6-4-2/h3-8H2,1-2H3,(H,9,10)
3. InChIKey:JYFHYPJRHGVZDY-UHFFFAOYAZ
The following are the toxicity data which has been tested.
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LD50 | oral | 3200mg/kg (3200mg/kg) | National Technical Information Service. Vol. OTS0528344 |