Key Documents

View All Documentation

M54104

Methyl DL-mandelate

Name: Methyl <SC>DL</SC>-mandelate
Brand: ALDRICH

97%

Select a Size

Change View

About This Item

Linear Formula:

C₆H₅CH(OH)COOCH₃

CAS Number:

4358-87-6

Molecular Weight:

166.17

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

24896997

EC Number:

224-434-7

Beilstein/REAXYS Number:

2047558

MDL number:

MFCD00004493

Assay:

97%

Technical Service

Need help? Our team of experienced scientists is here for you.

Let Us Assist

Properties

assay

97%

bp

135 °C/12 mmHg (lit.)

mp

54-56 °C (lit.)

SMILES string

COC(=O)C(O)c1ccccc1

InChI

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

InChI key

ITATYELQCJRCCK-UHFFFAOYSA-N

Description

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

ppe

Eyeshields, Gloves, type N95 (US)

Regulatory Information

新产品

This item has

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number

Don't see the Right Version?

If you require a particular version, you can look up a specific certificate by the Lot or Batch number.

Search for a COA

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

Theoretical study on chiral recognition mechanism of methyl mandelate enantiomers on permethylated β-cyclodextrin.

Jie-Hua Shi et al.

Journal of molecular modeling, 18(2), 803-813 (2011-05-20)

Host-guest interactions of permethylated β-cyclodextrin (PM-β-CD) with methyl mandelate enantiomers ((R/S)-MMA) were simulated using semiempirical PM3 and ONIOM (B3LYP/6-31G(d):PM3) method. The chiral recognition mechanism of (R/S)-MMA enantiomers on PM-β-CD was investigated. The binding energies for all orientations considered in this

Enantiomer separation of mandelates and their analogs on cyclodextrin derivative chiral stationary phases by capillary GC.

M Y Nie et al.

Analytical sciences : the international journal of the Japan Society for Analytical Chemistry, 17(10), 1183-1187 (2002-05-07)

Enantiomer separation of mandelates and their analogs, which are important intermediates in asymmetric synthetic and pharmaceutical chemistry, was investigated by capillary gas chromatography using different cyclodextrin derivative chiral stationary phases (CD CSPs). The used cyclodextrin derivatives included permethylated beta-CD (PMBCD)

Calculations of the energy distribution from perturbation peak data--a new tool for characterization of chromatographic phases.

Jörgen Samuelsson et al.

Journal of chromatography. A, 1203(2), 177-184 (2008-08-02)

The calculation of the adsorption energy distribution (AED) was recently introduced as an important tool for the chromatographic community for characterization of modern phases. The AED-calculations, provides model-independent information about the numbers of different adsorption sites and their respective energy-levels

View All Related Papers

Global Trade Item Number

SKU	GTIN
M54104-25G	04061834059929