246093
Methyl butyrate
99%
Synonym(s):
3-Methylpropanoic acid methyl ester, Methyl butanoate, Methyl n-butyrate
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About This Item
Linear Formula:
CH3CH2CH2COOCH3
CAS Number:
Molecular Weight:
102.13
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
210-792-1
Beilstein/REAXYS Number:
1740743
MDL number:
Assay:
99%
Form:
liquid
vapor density
3.5 (vs air)
Quality Level
vapor pressure
40 mmHg ( 30 °C)
assay
99%
form
liquid
expl. lim.
3.5 %
refractive index
n20/D 1.385 (lit.)
bp
102-103 °C (lit.)
solubility
water: soluble 60 part, alcohol: miscible, diethyl ether: soluble
density
0.898 g/mL at 25 °C (lit.)
functional group
ester
SMILES string
CCCC(=O)OC
InChI
1S/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3
InChI key
UUIQMZJEGPQKFD-UHFFFAOYSA-N
General description
Methyl butyrate, one of the odorous compound present in different types of adhesive (hotmelt, vinyl acetate ethylene, starch, polyvinyl acetate and acrylic) used in food packaging, was identified by GC-O-MS (gas chromatography–mass spectrometry–olfactometry).
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signalword
Danger
hcodes
Hazard Classifications
Flam. Liq. 2
Storage Class
3 - Flammable liquids
wgk
WGK 2
flash_point_f
53.0 °F
flash_point_c
11.67 °C
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
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Kaixin Li et al.
Physical chemistry chemical physics : PCCP, 18(48), 32723-32734 (2016-11-24)
Brønsted acidic ionic liquids (BAILs) can play a dual role, as a solvent and as a catalyst, in many reactions. However, molecular details of the catalytic mechanism are poorly understood. We present here a density functional theory (DFT) study for
Sang-Ryong Lee et al.
The Science of the total environment, 610-611, 992-996 (2017-08-26)
This report proposes a new approach to evaluate the odour nuisance of cattle manure samples from three different cattle breeds (i.e., native cattle, beef cattle, and milk cow) by means of quantification and speciation of volatile fatty acids (VFAs). To
S H Sterri et al.
Biochemical pharmacology, 34(15), 2779-2785 (1985-08-01)
A radiochemical assay for carboxylesterase based on the substrate methyl[1-14C]butyrate is described. The blank value corresponds to 1.04 micrograms (liver)-1.44 mg (plasma) of tissues with the highest and lowest activity respectively, which constitute the sensitivity of the method. The hydrolysis