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Molecule
Malathion
CAS: 121-75-5 · C10H19O6PS2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 121-75-5
- Molecular Formula
- C10H19O6PS2
- Molecular Mass
- 330.36 g/mol
Identifiers
CAS Registry Number
121-75-5
SMILES
CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC
InChI Key
JXSJBGJIGXNWCI-UHFFFAOYSA-N
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
Names and Synonyms
- Malathion Synonym
- Butanedioic acid, 2-[(dimethoxyphosphinothioyl)thio]-, 1,4-diethyl ester Synonym
- SF 60 Synonym
- Succinic acid, mercapto-, diethyl ester, S-ester with O,O-dimethyl phosphorodithioate Synonym
- Butanedioic acid, [(dimethoxyphosphinothioyl)thio]-, diethyl ester Synonym
- 8059HC Synonym
- ENT 17,034 Synonym
- American Cyanamid 4,049 Synonym
- S-[1,2-Bis(ethoxycarbonyl)ethyl] O,O-dimethyl phosphorodithioate Synonym
- S-[1,2-Bis(ethoxycarbonyl)ethyl] O,O-dimethyl thiophosphate Synonym
- Carbophos Synonym
- Compound 4049 Synonym
- Fosfothion Synonym
- Insecticide no. 4049 Synonym
- Karbofos Synonym
- Malathion Synonym
- Malathion LV Concentrate Synonym
- Mercaptothion Synonym
- Phosphothion Synonym
- Ethiolacar Synonym
- Fosfotion Synonym
- Malamar 50 Synonym
- Oleophosphothion Synonym
- Sadophos Synonym
- Siptox I Synonym
- Sadofos Synonym
- Cythion Synonym
- O,O-Dimethyl S-(1,2-dicarbethoxyethyl) dithiophosphate Synonym
- Sumitox Synonym
- Carbetox Synonym
- Malathion E 50 Synonym
- S-[1,2-Bis(carbethoxy)ethyl] O,O-dimethyl dithiophosphate Synonym
- [(Dimethoxyphosphinothioyl)thio]butanedioic acid diethyl ester Synonym
- Diethyl mercaptosuccinate S-ester with O,O-dimethyl phosphorodithioate Synonym
- Insecticide 4049 Synonym
- Carbofos Synonym
- Malaspray Synonym
- Prioderm Synonym
- Zithiol Synonym
- Ortho Malathion Synonym
- Malatol Synonym
- Fyfanon Synonym
- Moscarda Synonym
- TM 4049 Synonym
- Malafor Synonym
- Etiol Synonym
- Vetiol Synonym
- Carbetovur Synonym
- TAK (pesticide) Synonym
- Malasol Synonym
- Extermathion Synonym
- Forthion Synonym
- Malathyl Synonym
- Cimexan Synonym
- Hilthion Synonym
- IFO 13140 Synonym
- Malataf Synonym
- TAK Synonym
- Mavidan Synonym
- Security Synonym
- Malathyne Synonym
- Malamar Synonym
- Malathine Synonym
- Maldison Synonym
- Ovide Synonym
- Organoderm Synonym
- Suleo M Synonym
- Derbac M Synonym
- ENT 17034 Synonym
- NSC 6524 Synonym
- Malatol 500CE Synonym
- Malathion ULV Synonym
- Hi-Yield Synonym
- Radotion P 5 Synonym
- Radotion Synonym
- Gammaxine Synonym
- Atrapa Synonym
- Nassrlathion Synonym
- Kunamala Synonym
- Radotion E 50 Synonym
- Hymal Synonym
- Malataf 57EC Synonym
- Malapron Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 330.36 g/mol | CAS Common Chemistry |
| 330.3640000000001 g/mol | RDKit | |
| 330.364 g/mol | RDKit | |
| 330.35 g/mol | chempirical lib | |
| Density | 1.23 g/cm³ | CAS Common Chemistry |
| 1.23 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Malathion | CAS Common Chemistry |
| Canonical SMILES | O=C(OCC)CC(SP(=S)(OC)OC)C(=O)OCC | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=JXSJBGJIGXNWCI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 2.9 °C | CAS Common Chemistry |
| Name | Malathion | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 8 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 71.06 Ų | RDKit |
| LogP | 2.1218000000000004 | RDKit |
| 2.1218 | RDKit | |
| Molar Refractivity | 77.56500000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8 | RDKit |
| Exact Mass | 330.036066958 g/mol | RDKit |
| Boiling Point | 156-157 °C @ 0.7 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 330.36 g/mol; density = 1.230 g/mL. Edit any field — others recompute live.
