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Basic Information
CAS No.: 709-90-0
Name: Carbamic acid α-methylphenethyl ester
Molecular Structure:
Molecular Structure of 709-90-0 (Carbamic acid α-methylphenethyl ester)
Formula: C10H13NO2
Molecular Weight: 179.24
Synonyms: WLN: ZVOY1&Betaquil;3-Phenyl-2-propyl carbamat;Sa 217;
Density: 1.1g/cm3
Boiling Point: 337.5°Cat760mmHg
Flash Point: 172.4°C
Safety: Moderately toxic by ingestion. See also ESTERS and CARBAMATES. When heated to decomposition it emits toxic fumes of NOx.
PSA: 52.32000
LogP: 2.41320
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Chemistry

IUPAC Name: 1-Phenylpropan-2-yl carbamate
Synonyms of Carbamic acid-α-methylphenethyl ester (CAS NO.709-90-0): Betaquil ; Carbamic acid, alpha-methylphenethyl ester
InChI: InChI=1/C10H13NO2/c1-8(13-10(11)12)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H2,11,12)
InChIKey: QWJRGNMSAAHHJP-UHFFFAOYAI
Std. InChI: InChI=1S/C10H13NO2/c1-8(13-10(11)12)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H2,11,12)
Std. InChIKey: QWJRGNMSAAHHJP-UHFFFAOYSA-N
CAS NO: 709-90-0
Molecular Formula: C10H13NO2
Molecular Weight: 179.2157
Molecular Structure :
H bond acceptors: 3
H bond donors: 2
Freely Rotating Bonds: 4
Polar Surface Area: 29.54 Å2
Index of Refraction: 1.53
Molar Refractivity: 50.33 cm3
Molar Volume: 162.8 cm3
Surface Tension: 42 dyne/cm
Density: 1.1 g/cm3
Flash Point: 172.4 °C
Enthalpy of Vaporization: 58.07 kJ/mol
Boiling Point: 337.5 °C at 760 mmHg
Vapour Pressure: 0.000105 mmHg at 25°C

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 800mg/kg (800mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) Arzneimittel-Forschung. Drug Research. Vol. 13, Pg. 856, 1963.
rat LD50 oral 1100mg/kg (1100mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) Arzneimittel-Forschung. Drug Research. Vol. 13, Pg. 856, 1963.

Safety Profile

Moderately toxic by ingestion. See also ESTERS and CARBAMATES. When Carbamic acid-α-methylphenethyl ester (CAS NO.709-90-0) is heated to decomposition, it emits toxic fumes of NOx.