Basic information
- CAS
298-03-3- Standard SMILES
CCOP(=S)(OCC)OCCSCC- InChIKey
DGLIBALSRMUQDD-UHFFFAOYSA-N- Molecular formula
- C8H19O3PS2
- Average molar mass
- 258.3 g/mol
- Monoisotopic mass
- 258.05132381
Overview
Demeton-O is an organic thiophosphate.
Names & identifiers
- Preferred name
- Demeton-O
- IUPAC
- diethoxy-(2-ethylsulfanylethoxy)-sulfanylidene-λ5-phosphane
- English name
- DEMETON O
- Molecular formula
- C8H19O3PS2
- Molecular weight
- 258.34
Names & synonyms
Demeton-O298-03-3DemetonthioneThiolmecaptophosDi-septonDemeton thionoDemeton-O [BSI:ISO]NSC 8928Demethon-OO,O-Diethyl O-2-(ethylthio)ethyl phosphorothioateNSC-8928EINECS 206-053-8
Show more names
E 1059Bayer 8169Demeton-O, Pestanal
UNII-8H0T22KH9WBRN 17091158H0T22KH9WDiethyl 2-(ethylthio)ethyl phosphorothionateDEMETON-O [ISO]DEMETON-O [MI]Phosphorothioic acid, O,O-diethyl O-[2-(ethylthio)ethyl] esterDiaethylthiophosphorsaeureester des aethylthioglykol
Database identifiers
- CAS
298-03-3- PubChem CID
- 9273
- DTXSID
DTXSID7041839- ChEMBL
CHEMBL1520836- ChEBI
CHEBI:82116- UNII
- 8H0T22KH9W
- EC Number
- 206-053-8
- Nikkaji
- J5.463A
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 85.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 168
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
PesticidesPesticide (Demeton-O) -> USDA PDB
Physicochemical properties
- Boiling point
- 272.05 °C · 272.05°C (estimate)
- Density
- 1.119 · 1.1190
- Flash point
- 45 °C · 45 °C
- storage temp.
- 20 °C · −20°C
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly)
- form
- Oil
- color
- Colourless
- Water Solubility
- 2 g/L · 2g/L(room temperature)
- Henry's Law Constant
- 6.1 · 6.1×100 mol/(m3Pa) at 25℃, MacBean (2012)
- CAS DataBase Reference
- 298 · 298-03-3
- FDA UNII
- 8 H0T22KH9W · 8H0T22KH9W
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H300: Fatal if swallowed [Danger Acute toxicity, oral]
P262, P264, P270, P273, P280, P301+P316, P302+P352, P316, P321, P330, P361+P364, P391, P405, and P501 (click each P-code to see the statement)
Danger
H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]
P262, P264, P270, P273, P280, P301+P316, P302+P352, P316, P321, P330, P361+P364, P391, P405, and P501 (click each P-code to see the statement)
Hazard information
Hazard Classes and Categories
Acute Tox. 2 (100%)
Acute toxicity (dermal) - category 1
Acute Tox. 1
Safety data
- rtecs
- TF3125000
- ridadr
- 3018
- risk_code
- 27/28-50
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS09
- hazard_code
- T+,N
- safety_code
- 28-36/37-45-61
- hazard_class
- 6.1(a)
- packing_group
- I
- Hazard statements
- H300-H310-H400
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501-P262-P264-P270-P280-P302+P350-P310-P322-P361-P363-P405-P501-P273-P391-P501
Chemistry & industry
Applications
DescriptionDemeton is a light brown liquid with an odorof sulfur compounds; Freezing/Melting point #213℃.Molecular weight = 516.92; Boiling point =134℃ at2 mmHg at 20℃; Flash point =45℃; Explosive limits:LEL = 1%; UEL = 5.3%. Hazard Identification (based onNFPA-704 M Rating System): Health 3, Flammability 2,Reactivity 0. Insoluble in water.
UsesDemeton-O is an organophosphorus pesticide found in some imported crops and fruits samples.
Suppliers17 total
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海艾梯西生物科技有限公司18721763493 · [email protected]
上海毕楷科技有限公司18516304666 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
天津阿尔塔科技有限公司022-65378550-8551 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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