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68555-34-0

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Basic Information
CAS No.: 68555-34-0
Name: bis[(6-methylcyclohex-3-enyl)methyl] adipate
Molecular Structure:
Molecular Structure of 68555-34-0 (bis[(6-methylcyclohex-3-enyl)methyl] adipate)
Formula: C22H34O4
Molecular Weight: 362.56
Synonyms: Adipic acid,diester with 6-methyl-3-cyclohexene-1-methanol;EINECS 271-425-9;Adipic acid,6-methyl-3-cyclohexenyl-methanol diester;
Density: 1.009g/cm3
Boiling Point: 442.9°C at 760 mmHg
Flash Point: 210.8°C
Safety: Low toxicity by skin contact. When heated to decomposition it emits acrid smoke and irritating vapors.
PSA: 52.60000
LogP: 4.83780
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Chemistry

IUPAC Name: Bis[(6-methylcyclohex-3-en-1-yl)methyl] hexanedioate
Synonyms of Bis((6-methylcyclohex-3-enyl)methyl) adipate (CAS NO.68555-34-0): Adipic acid, 6-methyl-3-cyclohexenyl-methanol diester ; Adipic acid, diester with 6-methyl-3-cyclohexene-1-methanol ; Bis(6-methyl-3-cyclohexenemethyl) adipate ; EINECS 271-425-9 ; Hexanedioic acid, 1,6-bis((6-methyl-3-cyclohexen-1-yl)methyl) ester ; Hexanedioic acid, bis((6-methyl-3-cyclohexen-1-yl)methyl) ester
CAS NO: 68555-34-0 
Molecular Formula of Bis((6-methylcyclohex-3-enyl)methyl) adipate (CAS NO.68555-34-0): C22H34O4
Molecular Weight: 362.503
Molecular Structure:

H bond acceptors: 4
H bond donors: 0
Freely Rotating Bonds: 11
Polar Surface Area: 52.6 Å2
Index of Refraction: 1.483
Molar Refractivity: 102.64 cm3
Molar Volume: 359 cm3
Surface Tension: 37.1 dyne/cm
Density of Bis((6-methylcyclohex-3-enyl)methyl) adipate (CAS NO.68555-34-0): 1.009 g/cm3
Flash Point: 210.8 °C
Enthalpy of Vaporization: 70.04 kJ/mol
Boiling Point: 442.9 °C at 760 mmHg
Vapour Pressure: 4.85E-08 mmHg at 25°C
 

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 16gm/kg (16000mg/kg)   Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974.
rat LD50 oral 8570uL/kg (8.57mL/kg)   Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Low toxicity by skin contact. When heated to decomposition it emits acrid smoke and irritating vapors.