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45997

Supelco

Methyl acetate

analytical standard

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About This Item

Formule linéaire :
CH3COOCH3
Numéro CAS:
79-20-9
Poids moléculaire :
74.08
Numéro Beilstein :
1736662
Numéro CE :
201-185-2
Numéro MDL:
MFCD00008711
Code UNSPSC :
85151701
ID de substance PubChem :
329757045
Nomenclature NACRES :
NA.24

Qualité

analytical standard

Niveau de qualité

100

Densité de vapeur

2.55 (vs air)

Pression de vapeur

165 mmHg ( 20 °C)

Pureté

≥99.9% (GC)

Température d'inflammation spontanée

936 °F

Durée de conservation

limited shelf life, expiry date on the label

Limite d'explosivité

16 %

Technique(s)

HPLC: suitable
gas chromatography (GC): suitable

Indice de réfraction

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

Point d'ébullition

57-58 °C (lit.)

Pf

−98 °C (lit.)

Densité

0.934 g/mL at 25 °C

Application(s)

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

Format

neat

Chaîne SMILES 

COC(C)=O

InChI

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

Clé InChI

KXKVLQRXCPHEJC-UHFFFAOYSA-N

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Description générale

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

Application

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

Autres remarques

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

Pictogrammes

FlameExclamation mark
GHS02,GHS07

Mention d'avertissement

Danger

Mentions de danger

H225,H319,H336

Classification des risques

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

Organes cibles

Central nervous system

Risques supp

EUH066

Code de la classe de stockage

3 - Flammable liquids

Classe de danger pour l'eau (WGK)

WGK 1

Point d'éclair (°F)

8.6 °F - closed cup

Point d'éclair (°C)

-13 °C - closed cup

Équipement de protection individuelle

Eyeshields, Faceshields, Gloves

Faites votre choix parmi les versions les plus récentes :

Certificats d'analyse (COA)

Lot/Batch Number
BCCG5169
BCCF4204
BCCF0071
BCCD1785
BCBX8836

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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
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
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
Benjamin Bechem et al.
The Journal of organic chemistry, 75(5), 1795-1798 (2010-02-06)
5-Substituted-2-furan methanols 1a-c are subject to enantioselective carbonyl allylation, crotylation and tert-prenylation upon exposure to allyl acetate, alpha-methyl allyl acetate, or 1,1-dimethylallene in the presence of an ortho-cyclometalated iridium catalyst modified by (R)-Cl,MeO-BIPHEP, (R)-C3-TUNEPHOS, and (R)-C3-SEGPHOS, respectively. In the presence
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GC Analysis of Fermentation Compounds on a Packed Column (6.6% Carbowax® 20M on 80/120 Carbopack™ B AW)

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

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-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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