45997
Methyl acetate
analytical standard
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크기 선택
제품정보 (DICE 배송 시 비용 별도)
Linear Formula:
CH3COOCH3
CAS 번호:
Molecular Weight:
74.08
UNSPSC Code:
85151701
NACRES:
NA.24
PubChem Substance ID:
EC Number:
201-185-2
Beilstein/REAXYS Number:
1736662
MDL number:
InChI key
KXKVLQRXCPHEJC-UHFFFAOYSA-N
InChI
1S/C3H6O2/c1-3(4)5-2/h1-2H3
SMILES string
COC(C)=O
grade
analytical standard
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
Quality Level
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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.
signalword
Danger
hcodes
Hazard Classifications
Eye Irrit. 2 - Flam. Liq. 2 - STOT SE 3
target_organs
Central nervous system
supp_hazards
저장 등급
3 - Flammable liquids
wgk
WGK 1
flash_point_f
8.6 °F - closed cup
flash_point_c
-13 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves
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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