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10138-39-3

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Basic Information
CAS No.: 10138-39-3
Name: 7-Oxabicyclo[4.1.0]heptane-3-carboxylicacid,4-methyl-,2-propenylester(9CI)
Molecular Structure:
Molecular Structure of 10138-39-3 (7-Oxabicyclo[4.1.0]heptane-3-carboxylicacid,4-methyl-,2-propenylester(9CI))
Formula: C11H16 O3
Molecular Weight: 196.246
Synonyms: 7-Oxabicyclo[4.1.0]heptane-3-carboxylicacid, 4-methyl-, 2-propenyl ester (9CI); 7-Oxabicyclo[4.1.0]heptane-3-carboxylicacid, 4-methyl-, allyl ester (6CI,7CI); NSC 97559
Density: 1.078g/cm3
Boiling Point: 269.4°C at 760 mmHg
Flash Point: 107.5°C
Safety: Moderately toxic by skin contact and ingestion. A skin irritant. See also ALLYL COMPOUNDS and ESTERS. When heated to decomposition it emits acrid smoke and irritating fumes.
PSA: 38.83000
LogP: 1.52910
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Chemistry

The Molecular Structure of Allyl 3,4-epoxy-6-methylcyclohexanecarboxylate (CAS NO.10138-39-3):
Molecular Formula: C11H16O3
Molecular Weight: 196.242940 g/mol
IUPAC: prop-2-enyl 3-methyl-7-oxabicyclo[4.1.0]heptane-4-carboxylate
Density: 1.078 g/cm3
Flash Point: 107.5 °C
Enthalpy of Vaporization: 50.76 kJ/mol
Boiling Point: 269.4 °C at 760 mmHg
Vapour Pressure: 0.00725 mmHg at 25°C
Nominal Mass: 196 Da
Average Mass: 196.2429 Da
Monoisotopic Mass: 196.109944 Da 
ACD/LogP: 2.18
ACD/LogD (pH 5.5): 2.17
ACD/LogD (pH 7.4): 2.17
ACD/BCF (pH 5.5): 26.46
ACD/BCF (pH 7.4): 26.46
ACD/KOC (pH 5.5): 363.04
ACD/KOC (pH 7.4): 363.04
Polar Surface Area: 38.83Å2
Index of Refraction: 1.483
Molar Refractivity: 51.97 cm3
Molar Volume: 181.9 cm3
Surface Tension: 33.6 dyne/cm 

Toxicity Data With Reference

1.    

skn-rbt 10 mg/24H open MLD

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

orl-rat LD50:500 mg/kg

     AIHAAP    American Industrial Hygiene Association Journal. 23 (1962),95.
3.    

skn-rbt LD50:2830 mg/kg

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

Safety Profile

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

Specification

 Allyl 3,4-epoxy-6-methylcyclohexanecarboxylate (CAS NO.10138-39-3) is also called as 3,4-Epoxy-6-methylcyclohexanecarboxylic acid, allyl ester ; 4-18-00-03899 (Beilstein Handbook Reference) ; Allyl 3,4-epoxy-6-methylcyclohexanecarboxylate ; BRN 0148303 ; NSC 97559 ; 7-Oxabicyclo(4.1.0)heptane-3-carboxylic acid, 4-methyl-, 2-propenyl ester (9CI) ; 7-Oxabicyclo(4.1.0)heptane-3-carboxylic acid, 4-methyl-, allyl ester .