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Methyl acetate

analytical standard

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About This Item

Fórmula lineal:
CH3COOCH3
Número de CAS:
79-20-9
Peso molecular:
74.08
Beilstein:
1736662
Número CE:
201-185-2
Número MDL:
MFCD00008711
Código UNSPSC:
85151701
ID de la sustancia en PubChem:
329757045
NACRES:
NA.24

grado

analytical standard

Nivel de calidad

100

densidad de vapor

2.55 (vs air)

presión de vapor

165 mmHg ( 20 °C)

Análisis

≥99.9% (GC)

temp. de autoignición

936 °F

caducidad

limited shelf life, expiry date on the label

lim. expl.

16 %

técnicas

HPLC: suitable
gas chromatography (GC): suitable

índice de refracción

n20/D 1.361 (lit.)
n20/D 1.362

bp

57-58 °C (lit.)

mp

−98 °C (lit.)

densidad

0.934 g/mL at 25 °C

aplicaciones

cleaning products
cosmetics
environmental
flavors and fragrances
food and beverages
personal care

formato

neat

cadena SMILES

COC(C)=O

InChI

1S/C3H6O2/c1-3(4)5-2/h1-2H3

Clave InChI

KXKVLQRXCPHEJC-UHFFFAOYSA-N

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Descripción general

Methyl acetate is an acetate ester, classified as a volatile organic compound (VOC). It is used as a solvent for many resins and oils.

Aplicación

The analytical standard can also be used as follows:

  • Quantitative analysis of seven volatile organic compounds (VOCs) in paint coating samples by dynamic headspace-gas chromatography-mass spectrometry (D-HS-GC-MS)
  • Detection of 88 VOCs in breath samples of lung cancer patients using solid-phase microextraction (SPME) combined with GC-MS
  • Development of a thermal desorption-gas chromatography-mass spectrometry (TDS-GC/MS) based method for the identification of very volatile organic compounds (VVOCs) in indoor air samples

Otras notas

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

Pictogramas

FlameExclamation mark
GHS02,GHS07

Palabra de señalización

Danger

Frases de peligro

H225,H319,H336

Clasificaciones de peligro

Eye Irrit. 2 - Flam. Liq. 2 - STOT SE 3

Órganos de actuación

Central nervous system

Riesgos supl.

EUH066

Código de clase de almacenamiento

3 - Flammable liquids

Clase de riesgo para el agua (WGK)

WGK 1

Punto de inflamabilidad (°F)

8.6 °F - closed cup

Punto de inflamabilidad (°C)

-13 °C - closed cup

Equipo de protección personal

Eyeshields, Faceshields, Gloves

Choose from one of the most recent versions:

Certificados de análisis (COA)

Lot/Batch Number
BCCL2242
BCCH6193
BCCG5169
BCCF4204
BCCF0071

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

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DeLu Tyler Yin et al.
Chemistry (Weinheim an der Bergstrasse, Germany), 18(26), 8130-8139 (2012-05-24)
Several serine hydrolases catalyze a promiscuous reaction: perhydrolysis of carboxylic acids to form peroxycarboxylic acids. The working hypothesis is that perhydrolases are more selective than esterases for hydrogen peroxide over water. In this study, we tested this hypothesis, and focused
Marco Candelaresi et al.
The journal of physical chemistry. A, 113(46), 12783-12790 (2009-10-02)
The solvation dynamics of methyl acetate in heavy water are analyzed by means of two-dimensional infrared spectroscopy, in conjunction with Car-Parrinello molecular dynamics simulations. The C horizontal lineO stretching infrared band of methyl acetate in water splits into a doublet
Franc Avbelj et al.
Proceedings of the National Academy of Sciences of the United States of America, 106(9), 3137-3141 (2009-02-10)
Recent calorimetric measurements of the solvation enthalpies of some dipeptide analogs confirm our earlier prediction that the principle of group additivity is not valid for the interaction of the peptide group with water. We examine the consequences for understanding the
M L Senent et al.
The Journal of chemical physics, 138(4), 044319-044319 (2013-02-08)
Highly correlated ab initio calculations (CCSD(T)) are used to compute gas phase spectroscopic parameters of three isotopologues of the methyl acetate (CH(3)COOCH(3), CD(3)COOCH(3), and CH(3)COOCD(3)), searching to help experimental assignments and astrophysical detections. The molecule shows two conformers cis and
Nicolas Salem et al.
Molecular imaging and biology : MIB : the official publication of the Academy of Molecular Imaging, 13(1), 140-151 (2010-04-20)
Studies have established the value of [(methyl)1-(11)C]-acetate ([(11)C]Act) combined with 2-deoxy-2[(18)F]fluoro-D-glucose (FDG) for detecting hepatocellular carcinoma (HCC) using positron emission tomography (PET). In this study, the metabolic fate of [(11)C]Act in HCC was characterized. Experiments with acetic acid [1-(14)C] sodium
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