Ethyl 4-methylvalerate - CAS 25415-67-2
Catalog: |
BB018907 |
Product Name: |
Ethyl 4-methylvalerate |
CAS: |
25415-67-2 |
Synonyms: |
ethyl 4-methylpentanoate |
IUPAC Name: | ethyl 4-methylpentanoate |
Description: | Ethyl 4-methylvalerate (CAS# 25415-67-2) is aroma component of red wine, Chinese Moutai and Langjiu liquors and CAShew apple juice (Anacardium occidentale L.). |
Molecular Weight: | 144.21 |
Molecular Formula: | C8H16O2 |
Canonical SMILES: | CCOC(=O)CCC(C)C |
InChI: | InChI=1S/C8H16O2/c1-4-10-8(9)6-5-7(2)3/h7H,4-6H2,1-3H3 |
InChI Key: | OFQRUTMGVBMTFQ-UHFFFAOYSA-N |
Boiling Point: | 156.3 °C at 760 mmHg |
Purity: | ≥ 97 % |
Density: | 0.868 g/mL at 20 °C (lit.) |
Solubility: | 356.7 mg/L at 25 °C (est) |
Appearance: | Liquid |
LogP: | 1.98570 |
GHS Hazard Statement: | H226 (100%): 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-113493746-A | Yeast ZB431 and application thereof | 20210728 |
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CN-111398470-A | GC-IMS pear producing area distinguishing method based on aroma substance fingerprint spectrum | 20200409 |
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PMID | Publication Date | Title | Journal |
21445890 | 20110701 | 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 |
21535802 | 20110401 | Comparison of fermented soybean paste (Doenjang) prepared by different methods based on profiling of volatile compounds | Journal of food science |
16159184 | 20050921 | 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 |
Complexity: | 97.4 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 144.115029749 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 144.115029749 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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