Butanedioic acid, [(dimethoxyphosphinothioyl)thio]-, diethyl ester (CAS 121-75-5)

InChI

InChI=1S/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3

InChI Key

JXSJBGJIGXNWCI-UHFFFAOYSA-N

Formula

C10H19O6PS2

SMILES

CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC

Molecular Weight¹

330.36

CAS

121-75-5

Other Names

(dl) malathion
1,2-Di(ethoxycarbonyl)ethyl O,O-dimethyl phosphordithioate
1,2-Di(ethoxycarbonyl)ethyl O,O-dimethyl phosphorodithioate
AC 26691
American Cyanamid 4,049
Calmathion
Carbethoxy malathion
Carbetovur
Carbetox
Carbofos
Carbophos
Celthion
Chemathion
Cimexan
Cleensheen
Compound 4049
Cythion
Derbac-M
Detmol MA
Dicarboethoxyethyl O,O-dimethyl phosphorodithioate
Diethyl (dimethoxyphosphinothioylthio) butanedioate
Diethyl (dimethoxyphosphinothioylthio)succinate
Diethyl 2-(dimethoxyphosphinothioylthio)succinate
Diethyl [(dimethoxyphosphinothoiyl)thio]butanedioate
Diethyl mercaptosuccinate S-ester with O,O-dimethyl phosphorodithioate
Diethyl mercaptosuccinate, O,O-dimethyl dithiophosphate, S-ester
Diethyl mercaptosuccinate, O,O-dimethyl phosphorodithioate
Diethyl mercaptosuccinate, O,O-dimethyl thiophosphate
Diethyl mercaptosuccinic acid O,O-dimethyl phosphorodithioate
Diethyl mercaptosuccinic acid, S-ester of O,O-dimethyl phosphorodithioate
Dithiophosphate de O,O-dimethyle et de S-(1,2-dicarboethoxyethyle)
EL 4049
ENT 17,034
Emmatos
Emmatos extra
Ethiolacar
Etiol
Experimental insecticide 4049
Extermathion
Formal
Forthion
Fosfothion
Fosfotion
Fosfotion 550
Four thousand forty-nine
Fyfanon
Gammaxine
Hilthion
Hilthion 25WDP
Insecticide No. 4049
Karbofos
Kop-thion
Kypfos
Latka 4049
MLT
Malacide
Malafor
Malagran
Malakill
Malamar
Malamar 50
Malaphele
Malaphos
Malasol
Malaspray
Malataf
Malathion
Malathion E50
Malathion LV Concentrate
Malathion ULV
Malathione
Malathiozoo
Malathon
Malathyl
Malathyne
Malation
Malatol
Malatox
Maldison
Malmed
Malphos
Maltox
Maltox MLT
Mercaptosuccinic acid diethyl ester
Mercaptosuccinic acid diethyl ester, S-ester with O,O-dimethyl phosphorothioate
Mercaptothion
Mercaptotion
Moscarda
NA 2783
NCI-C00215
O,O-Dimethyl S-(1,2-dicarbethoxyethyl) dithiophosphate
O,O-Dimethyl S-(1,2-dicarbethoxyethyl) phosphorodithioate
O,O-Dimethyl S-(1,2-dicarbethoxyethyl) thiothionophosphate
O,O-Dimethyl S-1,2-di(ethoxycarbamyl)ethyl phosphorodithioate
O,O-Dimethyl S-1,2-di(ethoxycarbamyl)ethyl phosphorothioate
O,O-Dimethyl dithiophosphate diethylmercaptosuccinate
O,O-Dimethyl-S-(1,2-di(ethoxycarbonyl)ethyl) phosphorodithioate
O,O-Dimethyl-S-1,2-dikarbetoxylethylditiofosfat
O,O-Dwumetylo-S-1,2-bis(karboetoksyetylo)-dwutiofosforan
OMS 1
Oleophosphothion
Organoderm
Ortho Malathion
Ovide
Phosphothion
Prioderm
Radotion
S-(1,2-Bis(aethoxy-carbonyl)-aethyl)-O,O-dimethyl-dithiophasphat
S-(1,2-Bis(ethoxy-carbonyl)-ethyl)-O,O-dimethyl-dithiofosfaat
S-(1,2-Bis(etossi-carbonil)-etil)-O,O-dimetil-ditiofosfato
S-(1,2-Di(ethoxycarbonyl)ethyl) dimethyl phosphorothiolothionate
S-(1,2-Dicarbethoxyethyl) O,O-dimethyl phosphorodithioate
S-(1,2-Dicarbethoxyethyl) O,O-dimethyldithiophosphate
S-1,2-Bis(ethoxycarbonyl)ethyl-O,O-dimethyl thiophosphate
S-[1,2-Bis(carbethoxy)ethyl] O,O-dimethyl dithiophosphate
S-[1,2-Bis(ethoxycarbonyl)ethyl] O,O-dimethyl phosphorodithioate
SF 60
Sadofos
Sadofos 30
Sadophos
Siptox I
Staeubol-Puder
Succinic acid, mercapto-, diethyl ester, S-ester with O,O-dimethyl phosphorodithioate
Suleo M
Sumitox
TAK
TM-4049
Taskil
Vegfru malatox
Vetiol
Zithiol
[(Dimethoxyphosphinothioyl)thio]butanedioic acid, diethyl ester
diethyl 2-dimethoxyphosphinothioylsulfanylbutanedioate

Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
log₁₀WS : Log10 of Water solubility in mol/l.
logP_oct/wat : Octanol/Water partition coefficient.
McVol : McGowan's characteristic volume (ml/mol).
P_vap : Vapor pressure (kPa).
I_np : Non-polar retention indices.
I : Polar retention indices.
T_boil : Normal Boiling Point Temperature (K).
T_c : Critical Temperature (K).
T_fus : Normal melting (fusion) point (K).
¹: Molecular weight from the IUPAC atomic weights tables.

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Physical Properties

Property	Value	Unit	Source
Δ_fH°_gas	-1097.83	kJ/mol	Relay (1.0) Calculated Property
Δ_vapH°	71.10	kJ/mol	NIST
log₁₀WS	[-3.37; -3.36]
log₁₀WS	-3.36		Aq. Solubility Prediction
log₁₀WS	-3.37		Estimated Solubility
logP_oct/wat	2.122		Crippen Calculated Property
McVol	231.540	ml/mol	McGowan Calculated Property
I_np	[1913.00; 1986.00]
I_np	1931.00		NIST
I_np	1934.00		NIST
I_np	1926.00		NIST
I_np	1930.00		NIST
I_np	1938.00		NIST
I_np	1922.00		NIST
I_np	1920.00		NIST
I_np	1962.00		NIST
I_np	1917.00		NIST
I_np	1959.00		NIST
I_np	1965.00		NIST
I_np	1919.00		NIST
I_np	1946.00		NIST
I_np	1919.00		NIST
I_np	1930.00		NIST
I_np	1930.00		NIST
I_np	1920.00		NIST
I_np	1963.00		NIST
I_np	1965.00		NIST
I_np	1962.00		NIST
I_np	1928.00		NIST
I_np	1965.00		NIST
I_np	1970.00		NIST
I_np	1975.00		NIST
I_np	1986.00		NIST
I_np	1986.00		NIST
I_np	1969.00		NIST
I_np	1913.00		NIST
I_np	1917.00		NIST
I_np	1917.00		NIST
I_np	1930.00		NIST
I_np	1919.00		NIST
I	2872.00		NIST
T_boil	604.05	K	Relay (1.0) Calculated Property
T_c	792.18	K	Relay (1.0) Calculated Property
T_fus	[273.95; 276.25]	K
T_fus	275.95	K	Aq. Solubility Prediction
T_fus	273.95 ± 0.50	K	NIST
T_fus	275.95 ± 0.35	K	NIST
T_fus	276.25 ± 0.25	K	NIST

Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
P_vap	[1.33; 202.65]	kPa	[491.37; 690.58]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.77036e+01
Coefficient B			-8.55779e+03
Temperature range, min.			491.37
Temperature range, max.			690.58

P_vap	1.33	kPa	491.37	Calculated Property
P_vap	2.82	kPa	513.50	Calculated Property
P_vap	5.62	kPa	535.64	Calculated Property
P_vap	10.60	kPa	557.77	Calculated Property
P_vap	19.04	kPa	579.91	Calculated Property
P_vap	32.75	kPa	602.04	Calculated Property
P_vap	54.22	kPa	624.18	Calculated Property
P_vap	86.72	kPa	646.31	Calculated Property
P_vap	134.44	kPa	668.45	Calculated Property
P_vap	202.65	kPa	690.58	Calculated Property

Similar Compounds

6H-Benzofuro[3a,3,2-ef][2]benzazepin-6-one, 4a,5,9,10,11,12-hexahydro-3-methoxy-11-methyl-, (4aS,8aS)-.

Uridine, 2',5'-bis-O-acetyl, 3'-O-TBDMS.

Benazepril desethyl 3Me (Benazeprilate 3Me).

Bialophos, N,O,O-tris(tert-butyldimethylsilyl)deriv..

2-(5-methyl-2-furyl)-3-hydroxy-piperidine.

Find more compounds similar to Butanedioic acid, [(dimethoxyphosphinothioyl)thio]-, diethyl ester.

Sources

Cheméo Relay (1.0)
Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
Crippen Method
Aqueous Solubility Prediction Method
Estimated Solubility Method
McGowan Method
NIST Webbook
The Yaws Handbook of Vapor Pressure

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.

Chemical Properties of Butanedioic acid, [(dimethoxyphosphinothioyl)thio]-, diethyl ester (CAS 121-75-5)

Physical Properties

Correlations

Similar Compounds

Sources