CAS 25415-67-2 | Ethyl 4-methylvalerate | CAS Number 25415-67-2

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25415-67-2 | Ethyl 4-methylvalerate

CAS No: 25415-67-2 Catalog No: AG0034VF MDL No:MFCD00042887

Product Description

Catalog Number:

AG0034VF

Chemical Name:

Ethyl 4-methylvalerate

CAS Number:

25415-67-2

Molecular Formula:

C8H16O2

Molecular Weight:

144.2114

MDL Number:

MFCD00042887

IUPAC Name:

ethyl 4-methylpentanoate

InChI:

InChI=1S/C8H16O2/c1-4-10-8(9)6-5-7(2)3/h7H,4-6H2,1-3H3

InChI Key:

OFQRUTMGVBMTFQ-UHFFFAOYSA-N

SMILES:

CCOC(=O)CCC(C)C

EC Number:

246-955-9

UNII:

DZX6U00Q87

FEMA Number:

4343

Properties

Complexity:

97.4

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

144.115g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

144.214g/mol

Monoisotopic Mass:

144.115g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

26.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1

Literature

Title	Journal
Volatile and capsaicinoid composition of ají (Capsicum baccatum) and rocoto (Capsicum pubescens), two Andean species of chile peppers.	Journal of the science of food and agriculture 20110701
Comparison of fermented soybean paste (Doenjang) prepared by different methods based on profiling of volatile compounds.	Journal of food science 20110401
Identification based on quantitative measurements and aroma recombination of the character impact odorants in a Bavarian Pilsner-type beer.	Journal of agricultural and food chemistry 20050921