IUPAC Name: Phenethyl (E)-2-methylbut-2-enoate
Synonyms of Phenylethyl-α-methylbutenoate (CAS NO.55719-85-2): 2-Butenoic acid, 2-methyl-, 2-phenylethyl ester, (E)- ; 2-Phenylethyl 2-methyl-2-butenoate, (E)- ; 2-Phenylethyl trans-2-methylbutenoate ; Phenylethyl tiglate ; Phenylethyl-alpha-methylbutenoate
CAS NO:55719-85-2
Molecular Formula: C13H16O2
Molecular Weight: 204.2649
Molecular Structure:
EINECS: 259-774-5
Index of Refraction: 1.513
Surface Tension: 35.1 dyne/cm
Density: 1.012 g/cm3
Flash Point: 167.8 °C
Enthalpy of Vaporization: 54.69 kJ/mol
Boiling Point: 306.3 °C at 760 mmHg
Vapour Pressure: 0.000776 mmHg at 25°C
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rabbit | LD50 | skin | > 5gm/kg (5000mg/kg) | Food and Cosmetics Toxicology. Vol. 13, Pg. 909, 1975. | |
rat | LD50 | oral | > 5gm/kg (5000mg/kg) | Food and Cosmetics Toxicology. Vol. 13, Pg. 909, 1975. |
Reported in EPA TSCA Inventory.
WGK Germany: 2
RTECS: EM9255000
Phenylethyl-α-methylbutenoate (CAS NO.55719-85-2) is a skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes.
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