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Cas Database

Name	Bis(2-ethylhexyl) phosphite	EINECS	222-904-6
CAS No.	3658-48-8	Density	g/cm³
PSA	59.00000	LogP	5.84210
Solubility	N/A	Melting Point	N/A
Formula	C16H35 O3 P	Boiling Point	395.2°Cat760mmHg
Molecular Weight	306.426	Flash Point	192.8°C
Transport Information	N/A	Appearance	N/A
Safety	Poison by intravenous route. Moderately toxic by intraperitoneal route. An eye irritant. When heated to decomposition it emits toxic fumes of PO_x. See also ESTERS.	Risk Codes	36/37/38
Molecular Structure		Hazard Symbols
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;	Article Data	18

Bis(2-ethylhexyl) phosphite Synthetic route

: 104-76-7
2-Ethylhexyl alcohol

: 3658-48-8
bis(2-ethylhexyl)phosphite

Conditions

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

: 96-36-6, 868-85-9
methyl phosphite

: 104-76-7
2-Ethylhexyl alcohol

: 3658-48-8
bis(2-ethylhexyl)phosphite

Conditions

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

Conditions	Yield
With sodium at 160℃;
With sodium hydride In mineral oil at 160℃;

: 104-76-7
2-Ethylhexyl alcohol

diphenylphosphonate: diphenylphosphonate

: 3658-48-8
bis(2-ethylhexyl)phosphite

Conditions

Conditions	Yield

: 104-76-7
2-Ethylhexyl alcohol

: mono-2-ethyl-1-hexyl phosphite

: 3658-48-8
bis(2-ethylhexyl)phosphite

Conditions

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

Conditions	Yield
With N-chloro-succinimide at -78 - 20℃; Inert atmosphere; neat (no solvent);	97%
With chlorine
With sulfuryl dichloride

: 119-61-9
benzophenone

: 3658-48-8
bis(2-ethylhexyl)phosphite

: C29H45O4P

Conditions

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%

: 50-00-0
formaldehyd

: 3658-48-8
bis(2-ethylhexyl)phosphite

: 100-46-9
benzylamine

: O,O-di(2-ethylhexyl) 1-(benzylamino)methylphosphonate

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In benzene for 12h; Heating;	95%

: 3658-48-8
bis(2-ethylhexyl)phosphite

: 78-93-3
butanone

: C20H43O4P

Conditions

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%

: 3658-48-8
bis(2-ethylhexyl)phosphite

: 111-92-2
dibutylamine

: bis(2-ethylhexyl) dibutylphosphoramidate

Conditions

Conditions	Yield
With tetrachloromethane In hexane Todd-Atherton reaction;	88%

Bis(2-ethylhexyl) phosphite Consensus Reports

Reported in EPA TSCA Inventory.

Bis(2-ethylhexyl) phosphite 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,

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