TERT-BUTYL-BICYCLO [2.2.2]

Modify Date: 2025-12-12 14:18:00

TERT-BUTYL-BICYCLO [2.2.2] Structure
TERT-BUTYL-BICYCLO [2.2.2] structure
 Common Name TERT-BUTYL-BICYCLO [2.2.2]
CAS Number 70636-86-1 Molecular Weight 222.24200
Density 1.25g/cm3 Boiling Point 231.3ºC at 760 mmHg
Molecular Formula C8H15O3PS Melting Point N/A
MSDS USA Flash Point 93.7ºC

 Names

Name 4-tert-butyl-1-sulfanylidene-2,6,7-trioxa-1λ5-phosphabicyclo[2.2.2]octane
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.25g/cm3
Boiling Point 231.3ºC at 760 mmHg
Molecular Formula C8H15O3PS
Molecular Weight 222.24200
Flash Point 93.7ºC
Exact Mass 222.04800
PSA 69.59000
LogP 2.97100
Index of Refraction 1.52
InChIKey VTBHBNXGFPTBJL-UHFFFAOYSA-N
SMILES CC(C)(C)C12COP(=S)(OC1)OC2

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TG0782500
CHEMICAL NAME :
Phosphorothioic acid, cyclic O,O,O-ester with 2-(tert-butyl)-2-(hydroxymethyl)-1,3- propanediol
CAS REGISTRY NUMBER :
70636-86-1
LAST UPDATED :
199409
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C8-H15-O3-P-S
MOLECULAR WEIGHT :
222.26
WISWESSER LINE NOTATION :
T66 A B AO EOPOTJ CX1&1&1 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 :
53 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 47,287,1979
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intracerebral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
55 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JAFCAU Journal of Agricultural and Food Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB 57136, West End Stn., Washington, DC 20037) V.1- 1953- Volume(issue)/page/year: 38,1734,1990

 Safety Information

Personal Protective Equipment Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
RIDADR NONH for all modes of transport
RTECS TG0782500

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 Synonyms

tert-Butylbicyclophosphorothionate
TBPS
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