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Merck

45997

Supelco

Methyl acetate

analytical standard

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About This Item

Fórmula lineal:
CH3COOCH3
Número de CAS:
Peso molecular:
74.08
Beilstein:
1736662
Número CE:
Número MDL:
Código UNSPSC:
85151701
ID de la sustancia en PubChem:
NACRES:
NA.24

grado

analytical standard

Nivel de calidad

densidad de vapor

2.55 (vs air)

presión de vapor

165 mmHg ( 20 °C)

Ensayo

≥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

Palabra de señalización

Danger

Frases de peligro

Clasificaciones de peligro

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

Órganos de actuación

Central nervous system

Riesgos supl.

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


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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
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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
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Artículos

Butyl methyl ether; Acetic acid; 2-Butanone; Ethyl acetate; Tetrahydrofuran; 1-Butanol; Isopropyl acetate; Heptane; Propyl acetate; 3-Methylbutanol; 4-Methyl-2-pentanone; Isobutyl acetate; Butyl acetate; Dimethyl sulfoxide; Anisole; Cumene

Protocolos

-Cymene; (−)-Menthone; α-Terpineol, natural, ≥96%, FCC, FG; Terpinolene; β-Bourbonene; 1-Octen-3-ol; β-Caryophyllene; Linalool; α-Terpinene; (−)-Menthol

Separation of Acetone; Acetic acid; Propionic acid; Ethyl butyrate; Ethanol; Isoamyl acetate; Isobutyric acid; 3-Methyl-2-butanol; Methyl acetate; 1-Propanol; Acetal, ≥98%, FG; 2-Methyl-1-pentanol; Butyl acetate; Ethyl propionate; 3-Pentanol; 2-Pentanol, 98%; Ethyl isobutyrate; Isobutyl acetate; Acetaldehyde; Furfural; Butyric acid; Methanol; Ethyl acetate

GC Analysis of Class 3 Residual Solvents on SUPELCOWAX® 10

-Cymene; 2,5-Dimethylpyrrole; Acetoin, ≥96%, FCC, FG; 2,5-Dimethylpyrazine; 2,6-Dimethylpyrazine; 2-Ethylpyrazine, ≥98%, FG; 2,3-Dimethylpyrazine; 4-Heptanone; 3-Ethylpyridine; 2,3,5-Trimethylpyrazine; Furfural; Pyrrole; Furfuryl acetate; Linalool; Linalyl acetate; 5-Methylfurfural; γ-Butyrolactone; 2-Acetyl-1-methylpyrrole; Furfuryl alcohol; 2-Acetylpyrrole; Pyrrole-2-carboxaldehyde

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