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O,O',O''-Triethyl phosphorothioate

HCID 31354
NotesReactions
Basic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
126-68-1
Standard SMILES
CCOP(=S)(OCC)OCC
InChIKey
QTPJMTACJMLPLL-UHFFFAOYSA-N
Molecular formula
C6.H15.O3.P.S
Average molar mass
198.22 g/mol
Monoisotopic mass
198.04795197

Overview

increases NADPH-cytochrome c reductase activity in rat liver microsomes

Names & identifiers

Preferred name
O,O',O''-Triethyl phosphorothioate
IUPAC
triethoxy(sulfanylidene)-λ5-phosphane
English name
O,O,O-Triethylphosphorothioate
Molecular formula
C6H15O3PS
Molecular weight
198.22

Names & synonyms

126-68-1O,O,O-Triethyl phosphorothioateTriethyl phosphorothioateO,O,O-Triethyl thiophosphateO,O',O''-Triethyl phosphorothioateTriethyl phosphorothionatePhosphorothioic acid, O,O,O-triethyl esterEthyl phosphorothioate ((EtO)3PS)QPV9MGL8YCNSC-2650DTXSID7059567OOO-EtS
Show more names
O,O,O-Tept(C2H5O)3PStriethylthionphosphateriethyl phosphorothioateTriethylphosphorothioateO,O,O-TriethylthiofosfatO,O,O-TriethylthiophosphatO,O,O-triethylthiophosphate
RefChem:855014DTXCID1033878204-797-8O,o,o-triethylphosphorothioateTriethyl thiophosphateTriethylthiofosfatPhosphine sulfide, triethoxy-Thiophosphoric acid, tri-O-ethyl ester

Database identifiers

CAS
126-68-1
PubChem CID
31354

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
59.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
11
Formal charge
0
Complexity
116

Experimental & physicochemical properties

SpringerMaterials PropertiesBoiling point
Density1.074 @25 °C

Physicochemical properties

Melting point
280 °C · >280 °C (decomp)
Boiling point
217 °C · 217°C
Density
1.077 · 1.077
refractive index
1.448 · 1.4480
Flash point
225 °F · 225°F (COC)
solubility
Chloroform, Ethyl Acetate (Slightly), Methanol (Slightly)
form
Oil
color
Colorless liquid
Odor
strong characteristic odor
EWG's Food Scores
1 · 1
FDA UNII
9 MGL8YC · QPV9MGL8YC
EPA Substance Registry System
O,O,O-Triethyl phosphorothioate (126-68-1)

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 · 5 items

This chemical does not meet GHS hazard criteria for 7.1% (3 of 42) of reports.

Danger

H302 (92.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P264+P265, P270, P271, P280, P284, P301+P317, P304+P340, P305+P351+P338, P316, P320, P330, P337+P317, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (92.9%)

Safety & protection

Protective Action Criteria (PAC) · 3 items

0.027 [ppm]

0.3 [ppm]

1.8 [ppm]

Safety data

Toxicity
LCLo ihl-rat: 41 ppm/4H 28ZPAK -,207,72
Signal word
Danger
Symbol(GHS)
GHS06
Hazard statements
H330-H319-H302
Precautionary statements
P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P260-P271-P284-P304+P340-P310-P320-P403+P233-P405-P501

Chemistry & industry

Applications

UsesPlasticizer, lubricant additive, antifoam agent, hydraulic fluid, intermediate.

Suppliers26 total

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
艾吉析科技(上海)有限公司17717235263 · [email protected]
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
湖北成海化工有限公司027-59220433 18327245847 · [email protected]
上海毕楷科技有限公司18516304666 · [email protected]
武汉凯美克化学科技有限公司027-87342388 18086026008 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]

Related reactions

6 records
New reaction record
HRID 816068 reaction equation
HRID 816068As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 1080617 reaction equation
HRID 1080617As reactantuspto-grants-1996_12
HRID 1734979 reaction equation
HRID 1734979As reactantuspto-grants-1996_07
HRID 1734984 reaction equation
HRID 1734984As reactantuspto-grants-1996_07
HRID 1734989 reaction equation
HRID 1734989As reactantuspto-grants-1996_07
HRID 2210756 reaction equation
HRID 2210756As reactantuspto-grants-1995_10

Compound notes

Loading…

On this pageBasic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
DTXSID
DTXSID7059567
ChEMBL
CHEMBL5204872
UNII
QPV9MGL8YC
EC Number
204-797-8
Nikkaji
J34.690J
Symbol(GHS)
6 · GHS06
Signal word
Danger
Hazard statements
330 · H330-H319-H302
Precautionary statements
264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P260-P271-P284-P304+P340-P310-P320-P403+P233-P405-P501
Toxicity
41 ppm/4H · LCLo ihl-rat: 41 ppm/4H 28ZPAK -,207,72
凯试(上海)科技有限公司
021-50135380 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
湖北齐飞医药化工有限公司027-59322506 18071128681 · [email protected]
安徽宏瀚研新药业有限公司0551-62626652 19334025048 · [email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
Aladdin Scientific[email protected]
爆牛贸易重庆有限公司+86-023-6139-8061 +86-86-13650506873 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 18651614124 · [email protected]