Ethyl 3-Hydroxyhexanoate - CAS 2305-25-1
Catalog: |
BB017878 |
Product Name: |
Ethyl 3-Hydroxyhexanoate |
CAS: |
2305-25-1 |
Synonyms: |
3-hydroxyhexanoic acid ethyl ester; ethyl 3-hydroxyhexanoate |
IUPAC Name: | ethyl 3-hydroxyhexanoate |
Description: | Ethyl 3-Hydroxyhexanoate (CAS# 2305-25-1) is a general volatile organic compound which contributes to the scent and flavor profile of various fruits such as guava fruit and bananas. |
Molecular Weight: | 160.21 |
Molecular Formula: | C8H16O3 |
Canonical SMILES: | CCCC(CC(=O)OCC)O |
InChI: | InChI=1S/C8H16O3/c1-3-5-7(9)6-8(10)11-4-2/h7,9H,3-6H2,1-2H3 |
InChI Key: | LYRIITRHDCNUHV-UHFFFAOYSA-N |
Boiling Point: | 226.30 °C (EPI 4.0) |
Flash Point: | 94°C |
Purity: | 98.0 % |
Density: | 0.974 g/cm3 |
Solubility: | Insoluble in water; soluble in alcohol. |
Appearance: | Colorless liquid |
Storage: | Store tightly sealed under inert gas in a cool, well-ventilated area. |
MDL: | MFCD00036604 |
LogP: | 1.10060 |
Refractive Index: | 1.424 : 1.433 at 20 deg C |
Publication Number | Title | Priority Date |
CN-113355204-A | Hawthorn fruit vinegar and preparation method thereof | 20210722 |
CN-112826814-A | Use of 3-hydroxybutyric acid or derivatives thereof or bacterial compositions producing same for the treatment of radiation-induced intestinal lesions | 20201222 |
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PMID | Publication Date | Title | Journal |
21818287 | 20110101 | Comparative analysis of the volatile fraction of fruit juice from different Citrus species | PloS one |
21042539 | 20101022 | Odorant-binding proteins of the malaria mosquito Anopheles funestus sensu stricto | PloS one |
20530377 | 20100901 | Integrating heterogeneous odor response data into a common response model: A DoOR to the complete olfactome | Chemical senses |
11600027 | 20011001 | Aromatic profile of aqueous banana essence and banana fruit by gas chromatography-mass spectrometry (GC-MS) and gas chromatography-olfactometry (GC-O) | Journal of agricultural and food chemistry |
Complexity: | 112 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 160.109944368 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 160.109944368 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 46.5 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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