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Basic Information
CAS No.: 774-40-3
Name: ETHYL MANDELATE
Molecular Structure:
Molecular Structure of 774-40-3 (ETHYL MANDELATE)
Formula: C10H12 O3
Molecular Weight: 180.203
Synonyms: Mandelicacid, ethyl ester (6CI,7CI,8CI);(?à)-Ethyl mandelate;(?à)-Mandelic acid ethyl ester;(?à)-a-Hydroxybenzeneacetic acid ethylester;DL-Ethyl mandelate;DL-Mandelic acid ethyl ester;Ethyl2-hydroxy-2-phenylacetate;Ethyl hydroxy(phenyl)acetate;Ethyl mandelate;Ethylphenylglycolate;Ethyl a-hydroxybenzeneacetate;Ethyl a-hydroxyphenylacetate;NSC 5307;
EINECS: 212-263-0
Density: 1.115 g/mL at 25 °C(lit.)
Melting Point: 37 °C
Boiling Point: 254 °C at 760 mmHg
Flash Point: 118.1 °C
Appearance: COLORLESS TO LIGHT YELLOW LIQUID
Hazard Symbols: IrritantXi
Risk Codes: 36
Safety: 37/39-26
PSA: 46.53000
LogP: 1.28310
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Chemistry

IUPAC Name: Ethyl 2-hydroxy-2-phenylacetate
The MF of Ethyl mandelate (CAS NO.774-40-3) is C10H12O3.

                       
The MW of Ethyl mandelate (CAS NO.774-40-3) is 180.2.
Synonyms of Ethyl mandelate (CAS NO.774-40-3): Benzeneacetic acid, alpha-hydroxy-, ethyl ester, (alphaS)- ; Ethyl (2S)-hydroxy(phenyl)acetate ; Ethyl (S)-(+)-mandelate
Apperance: clear colorless to yellowish liquid after melting 
Product Categories: Pharmaceutical Intermediates
Index of Refraction: 1.528 
EINECS: 212-263-0
Density: 1.147 g/ml 
Flash Point: 118.1 °C
Boiling Point: 254 °C
Melting Point: 37 °C

Uses

  Ethyl mandelate (CAS NO.774-40-3) is used as a pemoline intermediate.

Toxicity Data With Reference

1.    

eye-rbt 5 mg

     AJOPAA    American Journal of Ophthalmology. 29 (1946),1363.
2.    

orl-rat LD50:3750 mg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 12 (1962),347.

Safety Profile

Moderately toxic by ingestion. An eye irritant. Combustible when exposed to heat or flame; can react with oxidizing materials. When heated to decomposition it emits acrid smoke and irritating fumes. See also ESTERS.Safety information of Ethyl mandelate (CAS NO.774-40-3):
Hazard Codes  IrritantXi
Risk Statements 
36 Irritating to the eyes
Safety Statements 
37/39 Wear suitable gloves and eye/face protection
26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
WGK Germany  2
RTECS  OO7397000