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Merck

W267619

Methyl acetate

natural, 98%, FG

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About This Item

Linear Formula:
CH3COOCH3
CAS Number:
79-20-9
Molecular Weight:
74.08
FEMA Number:
2676
Council of Europe no.:
213c
UNSPSC Code:
12164502
PubChem Substance ID:
24901242
NACRES:
NA.21
EC Number:
201-185-2
Flavis number:
9.023
MDL number:
MFCD00008711
Beilstein/REAXYS Number:
1736662
Organoleptic:
ethereal; fruity; sweet
Grade:
FG
Halal
Kosher
natural
Food allergen:
no known allergens

Key Documents

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Product Name

Methyl acetate, natural, 98%, FG

InChI

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

InChI key

KXKVLQRXCPHEJC-UHFFFAOYSA-N

SMILES string

COC(C)=O

grade

FG
Halal
Kosher
natural

reg. compliance

EU Regulation 1334/2008 & 178/2002
FDA 21 CFR 117
FDA 21 CFR 175.105

vapor density

2.55 (vs air)

vapor pressure

165 mmHg ( 20 °C)

assay

98%

form

liquid

autoignition temp.

936 °F

expl. lim.

16 %

refractive index

n20/D 1.361 (lit.)

bp

57-58 °C (lit.)

mp

−98 °C (lit.)

density

0.934 g/mL at 25 °C

application(s)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

organoleptic

ethereal; fruity; sweet

Quality Level

300
400

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Related Categories

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Danger

Hazard Classifications

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

target_organs

Central nervous system

supp_hazards

EUH066

Storage Class

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

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Certificates of Analysis (COA)

Lot/Batch Number
SHBQ4860
SHBP8993
SHBP3818
SHBN7782
SHBL6420

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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
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
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
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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