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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
Recommended Products
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.
Signal Word
Danger
Hazard Statements
Precautionary 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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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
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
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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
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
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