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Supelco

Methyl acetate

analytical standard

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About This Item

Linear Formula:
CH3COOCH3
CAS Number:
Molecular Weight:
74.08
Beilstein:
1736662
EC Number:
MDL number:
UNSPSC Code:
85151701
PubChem Substance ID:
NACRES:
NA.24

grade

analytical standard

Quality Level

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

Signal Word

Danger

Hazard Statements

Hazard Classifications

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

Target Organs

Central nervous system

Supplementary Hazards

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

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Certificates of Analysis (COA)

Lot/Batch Number

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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
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
Lei Yang et al.
The journal of physical chemistry. A, 112(28), 6364-6372 (2008-06-21)
The mechanisms and the kinetics of the OH (OD) radicals with methyl acetate CH3C(O)OCH3 are investigated theoretically. The dual-level direct dynamics method is employed in the calculation of the rate constants. The optimized geometries and frequencies and the gradients of
Saman Mohammadi et al.
PloS one, 9(9), e106653-e106653 (2014-09-11)
In this study, we compared, for the first time, the release of a 432 kDa prostaglandin F2a analogue drug, Latanoprost, from commercially available contact lenses using in vitro models with corneal epithelial cells. Conventional polyHEMA-based and silicone hydrogel soft contact
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

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