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Basic Information
CAS No.: 97-81-4
Name: 5,6-Epoxynorbornane-2-carboxylic acid ethyl ester
Molecular Structure:
Molecular Structure of 97-81-4 (5,6-Epoxynorbornane-2-carboxylic acid ethyl ester)
Formula: C10H14O3
Molecular Weight: 182.24
Synonyms: 3,4-Epoxy-2,5-endomethylenecyclohexanecarboxylic acid,ethyl ester;3-Oxatricyclo[3.2.1.02,4]octane-6-carboxylic acid, ethyl ester;
Density: 1.221g/cm3
Boiling Point: 250.4°Cat760mmHg
Flash Point: 98.4°C
Safety: Moderately toxic by skin contact. Mildly toxic by ingestion. A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes. See also ESTERS.
PSA: 38.83000
LogP: 0.97290
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    5,6-Epoxynorbornane-2-carboxylic acid ethyl ester

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    5,6-Epoxynorbornane-2-carboxylicacidethylester

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    5,6-Epoxynorbornane-2-carboxylic acid ethyl ester

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Chemistry

Empirical Formula: C10H14O3
Molecular Weight: 182.2164g/mol 
Index of Refraction: 1.523
Molar Refractivity: 45.57 cm3
Molar Volume: 149.1 cm3
Polarizability: 18.06×10-24cm3
Surface Tension: 41.1 dyne/cm
Density: 1.221 g/cm3
Flash Point: 98.4 °C
Enthalpy of Vaporization: 48.76 kJ/mol
Boiling Point: 250.4 °C at 760 mmHg
Vapour Pressure: 0.0217 mmHg at 25°C
Canonical SMILES: CCOC(=O)C1CC2CC1C3C2O3
InChI: InChI=1S/C10H14O3/c1-2-12-10(11)7-4-5-3-6(7)9-8(5)13-9/h5-9H,2-4H2,1H3
InChIKey: DKVJAOMZYNDXCB-UHFFFAOYSA-N
Structure of Ethyl 3-oxatricyclo-(3.2.1.0(sup 2,4))octane-6-carboxylate (CAS NO.97-81-4):

Toxicity Data With Reference

1.    

skn-rbt 10 mg/24H open MLD

     AIHAAP    American Industrial Hygiene Association Journal. 23 (1962),95.
2.    

orl-rat LD50:4760 mg/kg

     AIHAAP    American Industrial Hygiene Association Journal. 24 (1963),305.
3.    

skn-rbt LD50:3540 mg/kg

     AIHAAP    American Industrial Hygiene Association Journal. 24 (1963),305.

Safety Profile

Moderately toxic by skin contact. Mildly toxic by ingestion. A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes. See also ESTERS.

Specification

  Ethyl 3-oxatricyclo-(3.2.1.0(sup 2,4))octane-6-carboxylate , its cas register number is 97-81-4. It also can be called 2-Norbornanecarboxylic acid, 5,6-epoxy-, ethyl ester ; 3,4-Epoxy-2,5-endomethylenecyclohexanecarboxylic acid, ethyl ester ;
 AI3-26424 . Ethyl 3-oxatricyclo-(3.2.1.0(sup 2,4))octane-6-carboxylate (CAS NO.97-81-4) will cause a skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes.