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Demeton-O

Demeton-O structure

CAS No:
298-03-3
Formula:
C8H19O3PS2
Chemical Name:
Demeton-O
Synonyms:
Phosphorothioic acid,O,O-diethyl O-[2-(ethylthio)ethyl] ester;Phosphorothioic acid,O,O-diethyl ester O-[2-(ethylthio)ethyl] ester;Demeton-O;O,O-Diethyl O-[2-(ethylthio)ethyl] phosphorothionate;Demetonthione;NSC 8928
Categories:
Analytical Chemistry > Standard

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Description

Demeton is a light brown liquid with an odor of sulfur compounds; freezing/melting point ≤‐13 C

Demeton-O is an organic thiophosphate.

Demeton-O Basic Attributes

Molecular Weight：

258.338421

Exact Mass：

258.34

EC Number：

206-053-8

UNII：

8H0T22KH9W

NSC Number：

8928

DSSTox ID：

DTXSID7041839

Characteristics

PSA：

94.89000

XLogP3：

2.65

Density：

1.119 g/cm³ @ Temp: 21 °C

Boiling Point：

134 °C @ Press: 2 Torr

Flash Point：

45 °C

Refractive Index：

1.501

Water Solubility：

2g/L(room temperature)

Storage Conditions：

−20°C

Vapor Pressure：

0.00242mmHg at 25°C

Toxicity：

Oral-rat LD50: 7.5 mg/kg

Flammability characteristics：

Open flame is flammable; heat releases toxic phosphorus oxide and sulfur oxide gas

Safety Information

Packing level：

Hazard category：

6.1(a)

Transport codes：

3018

wgk germany：

hazard class code：

27/28-50

safety instructions：

28-36/37-45-61

RTECS Number：

TF3125000

Marks：

T+,N

Storage features：

The warehouse is ventilated, low temperature and dry; stored and transported separately from food materials

Precautionary statement(s)：

P262, P264, P270, P273, P280, P301+P310, P302+P350, P310, P321, P322, P330, P361, P363, P391, P405, P501

Hazard Statements：

H300

GHS Classification：

|Danger|H300: Fatal if swallowed [Danger Acute toxicity, oral]|P262, P264, P270, P273, P280, P301+P310, P302+P350, P310, P321, P322, P330, P361, P363, P391, P405, and P501

Toxicity

Toxicity class：

most toxic

Mobility：

389.05 L/kg

Computed Properties

Molecular Weight:258.3
XLogP3:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:9
Exact Mass:258.05132381
Monoisotopic Mass:258.05132381
Topological Polar Surface Area:85.1
Heavy Atom Count:14
Complexity:168
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes