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45997

Supelco

Methyl acetate

analytical standard

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About This Item

Linear Formula:
CH3COOCH3
CAS Number:
79-20-9
Molecular Weight:
74.08
Beilstein:
1736662
EC Number:
201-185-2
MDL number:
MFCD00008711
UNSPSC Code:
85151701
PubChem Substance ID:
329757045
NACRES:
NA.24

grade

analytical standard

Quality Level

100

vapor density

2.55 (vs air)

vapor pressure

165 mmHg ( 20 °C)

Assay

≥99.9% (GC)

autoignition temp.

936 °F

shelf life

limited shelf life, expiry date on the label

expl. lim.

16 %

technique(s)

HPLC: suitable
gas chromatography (GC): suitable

refractive index

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

bp

57-58 °C (lit.)

mp

−98 °C (lit.)

density

0.934 g/mL at 25 °C

application(s)

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

format

neat

SMILES string

COC(C)=O

InChI

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

InChI key

KXKVLQRXCPHEJC-UHFFFAOYSA-N

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General description

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

Other Notes

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

Pictograms

FlameExclamation mark
GHS02,GHS07

Signal Word

Danger

Hazard Statements

H225,H319,H336

Hazard Classifications

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

Target Organs

Central nervous system

Supplementary Hazards

EUH066

Storage Class Code

3 - Flammable liquids

WGK

WGK 1

Flash Point(F)

8.6 °F - closed cup

Flash Point(C)

-13 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 1 petroleums
Hazardous rank II
Water insoluble liquid

ISHL Indicated Name

Substances Subject to be Indicated Names

ISHL Notified Names

Substances Subject to be Notified Names

JAN Code

45997-1ML-F:4548173154619
45997-VAR-F:
45997-5ML-F:4548173154626
45997-BULK-F:

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Certificates of Analysis (COA)

Lot/Batch Number
BCCL2242
BCCH6193
BCCG5169
BCCF4204
BCCF0071

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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
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
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
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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