Phosphorothioic acid, cyclic O,O,O-ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol

Modify Date: 2025-11-07 11:57:12

Phosphorothioic acid, cyclic O,O,O-ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol Structure
Phosphorothioic acid, cyclic O,O,O-ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol structure
Common Name Phosphorothioic acid, cyclic O,O,O-ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol
CAS Number 935-52-4 Molecular Weight 194.18900
Density 1.34g/cm3 Boiling Point 205ºC at 760 mmHg
Molecular Formula C6H11O3PS Melting Point N/A
MSDS N/A Flash Point 77.8ºC

 Names

Name Phosphorothioic acid, cyclic O,O,O-ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.34g/cm3
Boiling Point 205ºC at 760 mmHg
Molecular Formula C6H11O3PS
Molecular Weight 194.18900
Flash Point 77.8ºC
Exact Mass 194.01700
PSA 69.59000
LogP 2.33490
Index of Refraction 1.532
InChIKey GHLWKNFZHQLFJX-UHFFFAOYSA-N
SMILES CCC12COP(=S)(OC1)OC2

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TY6655000
CHEMICAL NAME :
2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane, 4-ethyl-, 1-sulfide
CAS REGISTRY NUMBER :
935-52-4
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C6-H11-O3-P-S
MOLECULAR WEIGHT :
194.20
WISWESSER LINE NOTATION :
T66 A B AO EOPOTJ C2 FS

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1100 ug/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold
REFERENCE :
SCIEAS Science. (American Assoc. for the Advancement of Science, 1333 H St., NW, Washington, DC 20005) V.1- 1895- Volume(issue)/page/year: 182,1135,1973

 Safety Information

HS Code 2930909090

 Synthetic Route

~81%

Phosphorothioic acid, cyclic O,O,O-ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol Structure

Phosphorothioic...

CAS#:935-52-4

Literature: Tkachenko; Trofimova; Fedoseev Chemistry of Heterocyclic Compounds, 1999 , vol. 35, # 8 p. 973 - 977

~%

Phosphorothioic acid, cyclic O,O,O-ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol Structure

Phosphorothioic...

CAS#:935-52-4

Literature: Wadsworth,W.S.; Emmons,W.D. Journal of the American Chemical Society, 1962 , vol. 84, p. 610 - 617

 Precursor & DownStream

Precursor  2

DownStream  0

 Customs

HS Code 2930909090
Summary 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

 Synonyms

Trimethylolpropanthiophospat
4-Ethyl-2,6,7-trioxa-1-phospha-bicyclo<2,2,2>octan-1-sulfid
Trimethylolpropan-thionophosphat
<1,1,1-Tris-hydroxymethyl-propan>-thiophosphorsaeureester
trimethylolpropane O,O',O''-thiophosphate
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