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Merck
CN

M54104

Sigma-Aldrich

DL-扁桃酸甲酯

97%

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线性分子式:
C6H5CH(OH)COOCH3
CAS号:
分子量:
166.17
Beilstein:
2047558
EC 号:
MDL编号:
UNSPSC代码:
12352100
PubChem化学物质编号:
NACRES:
NA.22

检测方案

97%

bp

135 °C/12 mmHg (lit.)

mp

54-56 °C (lit.)

SMILES字符串

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

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WGK

WGK 3

闪点(°F)

closed cup

闪点(°C)

closed cup

个人防护装备

Eyeshields, Gloves, type N95 (US)

法规信息

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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
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
Y Chiang et al.
The Journal of organic chemistry, 65(4), 1175-1180 (2000-05-18)
Flash photolysis of methyl phenyldiazoacetate in aqueous solution produced phenylcarbomethoxycarbene, whose hydration generated a short-lived transient species that was identified as the enol isomer of methyl mandelate. This assignment is supported by the shape of the rate profile for decay
Fei Guo et al.
Applied microbiology and biotechnology, 97(8), 3355-3362 (2012-11-28)
Despite directed evolution being a practical and efficient method of improving the properties of enzymes, a trade-off between the targeted property and other essential properties often exists which hinders the efficiency of directed evolution. In our previous work, mutant CVH
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)

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