Ethyl 2-methylbutyrate - CAS 7452-79-1
Catalog: |
BB035104 |
Product Name: |
Ethyl 2-methylbutyrate |
CAS: |
7452-79-1 |
Synonyms: |
ethyl 2-methylbutanoate |
IUPAC Name: | ethyl 2-methylbutanoate |
Description: | Ethyl 2-methylbutyrate (CAS# 7452-79-1) is an ester that has a sweet, apple-like aroma. Ethyl 2-methylbutyrate is naturally found in apples, cherries and orange juice. |
Molecular Weight: | 130.18 |
Molecular Formula: | C7H14O2 |
Canonical SMILES: | CCC(C)C(=O)OCC |
InChI: | InChI=1S/C7H14O2/c1-4-6(3)7(8)9-5-2/h6H,4-5H2,1-3H3 |
InChI Key: | HCRBXQFHJMCTLF-UHFFFAOYSA-N |
Boiling Point: | 132-133 °C |
Flash Point: | 26°C |
Purity: | 95 % |
Density: | 0.875 g/cm3 |
Appearance: | A colorless oily liquid with a fruity odor. insoluble in water and less dense than water. flash point 73°f. contact may irritate skin, eyes and mucous membranes. |
Storage: | Flammables area |
MDL: | MFCD00012217 |
LogP: | 1.59560 |
Refractive Index: | 1.396-1.399 |
Stability: | Stable under normal temperatures and pressures. |
GHS Hazard Statement: | H226 (99.95%): Flammable liquid and vapor [Warning Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113475650-A | Grape essence | 20210706 |
CN-113151094-A | Bacillus tequilensis for producing volatile antibacterial gas and application thereof | 20210427 |
CN-113061540-A | Fermentation process based on klaton yeast with amino acid added into substrate | 20210324 |
CN-113150902-A | Fermentation process of hansenula polymorpha with added amino acids in substrate and based on grape juice | 20210324 |
CN-113150864-A | Natural and fresh flower and fruit flavor essence and preparation method and application thereof | 20210302 |
PMID | Publication Date | Title | Journal |
22497266 | 20120502 | Identification of aroma-active compounds in Jiashi muskmelon juice by GC-O-MS and OAV calculation | Journal of agricultural and food chemistry |
21968739 | 20120315 | Early leaf removal impact on volatile composition of Tempranillo wines | Journal of the science of food and agriculture |
22413143 | 20120315 | Aroma characterization of tangerine hybrids by gas-chromatography-olfactometry and sensory evaluation | Journal of the science of food and agriculture |
22117816 | 20120111 | Quality evaluation of olive oil by statistical analysis of multicomponent stable isotope dilution assay data of aroma active compounds | Journal of agricultural and food chemistry |
22393353 | 20120101 | Biodiversity of indigenous Saccharomyces populations from old wineries of south-eastern Sicily (Italy): preservation and economic potential | PloS one |
Complexity: | 88.9 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 130.099379685 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 130.099379685 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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