IUPAC Name: (1-acetyloxy-3-phenoxypropan-2-yl) acetate
Synonyms of Phenylglyceryl ether diacetate (CAS NO.7250-71-7): 1-Phenyl ether-2,3-diacetate glycerol ; 3-Phenoxy-1,2-propanediol diacetate ; 4-06-00-00591 (Beilstein Handbook Reference) ; AI3-07927 ; BRN 1981828 ; EINECS 230-661-2 ; Glycerol phenyl ether diacetate ; NSC 30150 ; 1,2-Propanediol, 3-phenoxy-, diacetate ; 3-Phenoxypropylene di(acetate)
CAS NO: 7250-71-7
Molecular Formula of Phenylglyceryl ether diacetate (CAS NO.7250-71-7): C13H16O5
Molecular Weight: 252.2631
H bond acceptors: 5
H bond donors: 0
Freely Rotating Bonds: 8
Polar Surface Area: 61.83 Å2
Index of Refraction: 1.496
Molar Refractivity: 64.23 cm3
Molar Volume: 219.8 cm3
Surface Tension: 39 dyne/cm
Density: 1.147 g/cm3
Flash Point: 158.1 °C
Enthalpy of Vaporization: 60.58 kJ/mol
Boiling Point: 360.1 °C at 760 mmHg
Vapour Pressure: 2.27E-05 mmHg at 25°C
Molecular Structure:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 1850mg/kg (1850mg/kg) | PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE) BEHAVIORAL: MUSCLE WEAKNESS LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | Journal of Pharmacology and Experimental Therapeutics. Vol. 97, Pg. 414, 1949. |
mouse | LD50 | oral | 9200mg/kg (9200mg/kg) | Shell Chemical Company. Unpublished Report. Vol. -, Pg. 5, 1961. | |
rat | LD50 | oral | 5250mg/kg (5250mg/kg) | Shell Chemical Company. Unpublished Report. Vol. -, Pg. 5, 1961. |
Moderately toxic by intraperitoneal route. Mildly toxic by ingestion. When heated to decomposition it emits acrid smoke and irritating fumes.
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