8.06912

Ethyl mandelate

for synthesis

• Synonym(s): Ethyl mandelate, Ethyl α-hydroxyphenylacetate, Mandelic acid ethyl ester
• Linear Formula: C₆H₅CH(OH)COOC₂H₅
• CAS Number: 774-40-3
• Molecular Weight: 180.20
• MDL number: MFCD00004494
• UNSPSC Code: 12352108
• EC Index Number: 212-263-0
• NACRES: NA.22

Properties

• Quality Level: 200
• assay: ≥96.0% (GC)
• refractive index: n25/589 1.5136
• mp: 24-27 °C
• transition temp: flash point 93 °C
• density: 1.13 g/cm³ at 20 °C
• storage temp.: 2-30°C
• SMILES string: O(CC)C(=O)C(O)c1ccccc1
• InChI: 1S/C10H12O3/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h3-7,9,11H,2H2,1H3
• InChI key: SAXHIDRUJXPDOD-UHFFFAOYSA-N

Description

Analysis Note

Assay (GC, area%): ≥ 96.0 % (a/a)
Melting range (lower value): ≥ 25 °C
Melting range (upper value): ≤ 30 °C
Identity (IR): passes test
Due to its specific melting range the product may be solid, liquid, a solidified melt or a supercooled melt.

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H319
• pcodes: P264 - P280 - P305 + P351 + P338 - P337 + P313
• Hazard Classifications: Eye Irrit. 2
• Storage Class: 10 - Combustible liquids
• wgk_germany: WGK 2
• flash_point_f: 199.4 °F
• flash_point_c: 93 °C