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| CAS No.: | 3658-48-8 |
|---|---|
| Name: | BIS(2-ETHYLHEXYL) PHOSPHITE |
| Article Data: | 18 |
| Molecular Structure: | |
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|
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| Formula: | C16H35 O3 P |
| Molecular Weight: | 306.426 |
| Synonyms: | Bis(2-ethylhexyl)hydrogen phosphite;Bis(2-ethylhexyl) phosphite;Bis(2-ethylhexyl) phosphonate;Bis(2-ethylhexyl) phosphonic acid;Chelex H 8;Di-2-Ethylhexyl phosphite;Di-2-ethylhexyl hydrogen phosphite;Diisooctyl phosphite;NSC 2664;Phosphonicacid di(2-ethylhexyl) ester; |
| EINECS: | 222-904-6 |
| Density: | g/cm3 |
| Boiling Point: | 395.2°Cat760mmHg |
| Flash Point: | 192.8°C |
| Hazard Symbols: |
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| Risk Codes: | 36/37/38 |
| Safety: | Poison by intravenous route. Moderately toxic by intraperitoneal route. An eye irritant. When heated to decomposition it emits toxic fumes of POx. See also ESTERS. |
| PSA: | 59.00000 |
| LogP: | 5.84210 |
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| Conditions | Yield |
|---|---|
| With phosphorus trichloride In benzene at 20℃; for 2h; Condensation; | 96% |
| With phosphorus trichloride at 20℃; for 2h; | 85.8% |
| With phosphonic acid; toluene |
| Conditions | Yield |
|---|---|
| With sodium at 160℃; |
- 104-76-7
2-Ethylhexyl alcohol
- 762-04-9
phosphonic acid diethyl ester
- 3658-48-8
bis(2-ethylhexyl)phosphite
| Conditions | Yield |
|---|---|
| With sodium at 160℃; | |
| With sodium hydride In mineral oil at 160℃; |
| Conditions | Yield |
|---|---|
| Conditions | Yield |
|---|---|
| Stage #1: mono-2-ethyl-1-hexyl phosphite With phosphorus pentoxide at 54℃; for 3h; Inert atmosphere; Stage #2: 2-Ethylhexyl alcohol at 56℃; for 0.5h; Inert atmosphere; | 46.2 %Spectr. |
- 3658-48-8
bis(2-ethylhexyl)phosphite
- 63449-80-9
bis(2-ethylhexyl) phosphorochloridate
| Conditions | Yield |
|---|---|
| With N-chloro-succinimide at -78 - 20℃; Inert atmosphere; neat (no solvent); | 97% |
| With chlorine | |
| With sulfuryl dichloride |
| Conditions | Yield |
|---|---|
| Stage #1: benzophenone; bis(2-ethylhexyl)phosphite With calcium fluoride for 0.0833333h; Stage #2: With potassium hydroxide at 40 - 50℃; for 2.16667h; | 97% |
| Conditions | Yield |
|---|---|
| With toluene-4-sulfonic acid In benzene for 12h; Heating; | 95% |
| Conditions | Yield |
|---|---|
| Stage #1: bis(2-ethylhexyl)phosphite; butanone With calcium fluoride for 0.0833333h; Stage #2: With potassium hydroxide at 40 - 50℃; for 2.16667h; | 92.5% |
| Conditions | Yield |
|---|---|
| With tetrachloromethane In hexane Todd-Atherton reaction; | 88% |
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Consensus Reports
Reported in EPA TSCA Inventory.
Specification
Bis(2-ethylhexyl) phosphite, its CAS register number is 3658-48-8. And it is also named as Diisooctyl phosphite; Bis(2-ethylhexyl) phosphite; Di-2-ethylhexyl phosphite; Bis(2-ethyl-1-hexyl) phosphite; Bis(2-ethylhexyl) phosphonate; CID6327514; Phosphonic acid, bis(2-ethylhexyl) ester; Dioctyl (2-ethylhexyl) phosphite; Di-2-ethylhexylhydrogenphosphite and so on. Bis(2-ethylhexyl) hydrogen phosphite is colorless oily liquid and commonly used as fine chemical and pharmaceutical intermediate.
Physical properties about Bis(2-ethylhexyl) phosphite are: (1)ACD/LogP: 7.1; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.10; (4)ACD/LogD (pH 7.4): 7.09; (5)ACD/BCF (pH 5.5): 146371.10; (6)ACD/BCF (pH 7.4): 142135.90; (7)ACD/KOC (pH 5.5): 173365.70; (8)ACD/KOC (pH 7.4): 168349.40; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 15; (12)Flash Point: 192.825 °C; (13)Enthalpy of Vaporization: 70.832 kJ/mol; (14)Boiling Point: 395.225 °C at 760 mmHg
You can still convert the following datas into molecular structure:
(1)InChI=1S/C16H35O3P.C2H6/c1-5-9-11-15(7-3)13-18-20(17)19-14-16(8-4)12-10-6-2;1-2/h15-16,20H,5-14H2,1-4H3;1-2H3;
(2)InChIKey=RIUIJOAYLGPGSH-UHFFFAOYSA-N;
(3)SmilesC([C@@H](CCCC)CC)OP(OC[C@@H](CCCC)CC)=O.CC;
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| guinea pig | LD50 | intraperitoneal | 700mg/kg (700mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | AMA Archives of Industrial Health. Vol. 18, Pg. 464, 1958. |
| mouse | LD50 | intraperitoneal | 620mg/kg (620mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | AMA Archives of Industrial Health. Vol. 18, Pg. 464, 1958. |
| rabbit | LD50 | intravenous | 100mg/kg (100mg/kg) | LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | AMA Archives of Industrial Health. Vol. 18, Pg. 464, 1958. |
| rabbit | LD50 | skin | 4500mg/kg (4500mg/kg) | Albright & Wilson Inc. Vol. #OPB-3, Pg. 1984, | |
| rat | LC50 | inhalation | > 20gm/m3 (20000mg/m3) | Albright & Wilson Inc. Vol. #OPB-3, Pg. 1984, | |
| rat | LD50 | intraperitoneal | 1500mg/kg (1500mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | AMA Archives of Industrial Health. Vol. 18, Pg. 464, 1958. |
| rat | LD50 | oral | 11900mg/kg (11900mg/kg) | Albright & Wilson Inc. Vol. #OPB-3, Pg. 1984, |