(±)-Methyl mandelate

CAS Registry Number®

4358-87-6

CAS Name

(±)-Methyl mandelate

Molecular Formula

C9H10O3

Molecular Mass

166.17

Cite this Page

(±)-Methyl mandelate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=771-90-4 (retrieved 2024-11-21) (CAS RN: 4358-87-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    100-104 °C @ Press: 1 Torr

  • Melting Point (2)

    58 °C

  • Density (3)

    1.1284 g/cm³ @ Temp: 70 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H10O3/c1-12-9(11)8(10)7-5-3-2-4-6-7/h2-6,8,10H,1H3

InChIKey

InChIKey=ITATYELQCJRCCK-UHFFFAOYSA-N

SMILES

C(C(OC)=O)(O)C1=CC=CC=C1

Canonical SMILES

O=C(OC)C(O)C=1C=CC=CC1

Other Names for this Substance

  • Benzeneacetic acid, α-hydroxy-, methyl ester
  • Mandelic acid, methyl ester, DL-
  • Benzeneacetic acid, α-hydroxy-, methyl ester, (±)-
  • Methyl DL-mandelate
  • (±)-Methyl mandelate

View All

Deleted or Replaced CAS Registry Numbers

771-90-4

CAS INSIGHTSTM
Targeted protein degrader structure, illustration