ethyl bis(propylsulfanyl)phosphinate

• ChemBase ID: 127323
• Molecular Formular: C8H19O2PS2
• Molecular Mass: 242.339021
• Monoisotopic Mass: 242.05640848
• SMILES: O=P(SCCC)(OCC)SCCC
• Canonical SMILES: CCCSP(=O)(SCCC)OCC
• InChI: InChI=1S/C8H19O2PS2/c1-4-7-12-11(9,10-6-3)13-8-5-2/h4-8H2,1-3H3
• InChIKey: VJYFKVYYMZPMAB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl bis(propylsulfanyl)phosphinate
• IUPAC Traditional name: mocap
• Synonyms: Phosphorodithioic Acid O-Ethyl S,S-Dipropyl Ester; Ethyl Propyl Phosphorodithioate; ENT 27318; Mocap 10G; Mocap 6EC; O-Ethyl S,S-Dipropyl Dithiophosphate; Profos; Prophos (ester); Rovokil; VC 9-104; Ethoprophos; O-Ethyl S,S-dipropyl phosphorodithioate; Ethoprofos; Ethoprop; Ethoprophos; Ethoprop; Ethoprophos; Prophos; O-乙基 S,S-二丙基二硫代磷酸酯; 丙线磷; 虫线磷; 灭线磷; 灭线磷

Database IDs

• CAS Number: 13194-48-4
• EC Number: 236-152-1
• MDL Number: MFCD00055333
• Beilstein Number: 8139788
• PubChem SID: 24899269; 24868557; 162221644
• PubChem CID: 3289
• CHEBI ID: 38665
• Chemspider ID: 3173
• Wikipedia Title: Ethoprop

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.219135
• LogD (pH = 7.4): 3.219135
• Log P: 3.219135
• Molar Refractivity: 64.3904 cm^3
• Polarizability: 25.682358 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Ethyl Acetate
• Apperance: Clear Colorless Oil
• Flash Point: >100 °C; >212 °F

Safety Information

• Storage Condition: Refrigerator
• RTECS: TE4025000
• European Hazard Symbols: Nature polluting (N); Highly toxic (T+)
• UN Number: 2810
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 1
• Risk Statements: 25-26/27-43-50/53
• Safety Statements: 27-28-36/37/39-45-60-61
• GHS Pictograms: GHS06; GHS09
• GHS Signal Word: Danger
• Main Hazard: Toxic
• GHS Hazard statements: H300 +H310 + H330-H317-H410
• GHS Precautionary statements: P260-P264-P273-P280-P284-P301 + P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2810 6.1/PG 1
• Storage Temperature: 2-8°C

Product Information

• Grade: analytical standard; PESTANAL®, analytical standard
• Packaging: ampule of 250 mg
• Empirical Formula (Hill Notation): C8H19O2PS2

DETAILS

Sigma Aldrich - 45306

Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

Toronto Research Chemicals - E890530

Ethoprophos is an organophosphate non-systemic nematicide and soil insecticide. Ethoprophos is an acetylcholinesterase (AChE) inhibitor.

REFERENCES

• Wing, K.D. et al.: Pest. Biochem. Physiol., 21, 22 (1983)
• Opperman, C.H. et al.: J. Nematol., 22, 481 (1983)
• Nordmeyer, D. et al.: Plant Dis., 69, 67 (1983)