2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-pentyl-

Modify Date: 2025-12-02 15:45:46

2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-pentyl- Structure
2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-pentyl- structure
 Common Name 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-pentyl-
CAS Number 108614-29-5 Molecular Weight 286.36500
Density 1.13g/cm3 Boiling Point 369.1ºC at 760mmHg
Molecular Formula C18H22O3 Melting Point N/A
MSDS N/A Flash Point 124.7ºC

 Names

Name 4-(4-ethynylphenyl)-1-pentyl-3,5,8-trioxabicyclo[2.2.2]octane

 Chemical & Physical Properties

Density 1.13g/cm3
Boiling Point 369.1ºC at 760mmHg
Molecular Formula C18H22O3
Molecular Weight 286.36500
Flash Point 124.7ºC
Exact Mass 286.15700
PSA 27.69000
LogP 3.42190
Vapour Pressure 2.59E-05mmHg at 25°C
Index of Refraction 1.555
InChIKey MCVGRCRCHYKXQU-UHFFFAOYSA-N
SMILES C#Cc1ccc(C23OCC(CCCCC)(CO2)CO3)cc1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
YJ9336000
CHEMICAL NAME :
2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-pentyl-
CAS REGISTRY NUMBER :
108614-29-5
LAST UPDATED :
199309
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C18-H22-O3
MOLECULAR WEIGHT :
286.40

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 :
4700 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: 39,1329,1991
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Chemsrc provides CAS#:108614-29-5 MSDS, density, melting point, boiling point, structure, etc. Its name is 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-pentyl->> amp version: 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-pentyl-

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