Ethyl 4-Acetylbutyrate
Product Information
Molecular Formula
C8H14O3
Molecular Weight
158.19
Description
Plasticizer.
Synonyms
5-oxohexanoic acid ethyl ester; ethyl 5-oxohexanoate
IUPAC Name
ethyl 5-oxohexanoate
SMILES
CCOC(=O)CCCC(=O)C
InChI
InChI=1S/C8H14O3/c1-3-11-8(10)6-4-5-7(2)9/h3-6H2,1-2H3
InChI Key
MGPSIDGTLFKDEY-UHFFFAOYSA-N
Boiling Point
221-222 °C / 760 mmHg
Flash Point
156.2 °F
Purity
98 %
Density
0.989 g/mL (25 °C)
Appearance
Viscous liquid
Refractive Index
n20/D 1.427 (lit.)
LogP
1.30880
Safety Information
Precautionary Statement
P210, P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word
Warning
Computed Properties
XLogP3
0.4
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
6
Exact Mass
158.094294304 g/mol
Monoisotopic Mass
158.094294304 g/mol
Topological Polar Surface Area
43.4Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
140
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-113278608-A | Chloroform substitute reagent for nucleic acid extraction and separation | 2021-05-13 |
| CN-112661639-A | Synthesis method of 4-acetylbutyrate compound | 2020-12-07 |
| WO-2022047347-A1 | Protein secretion inhibitors | 2020-08-31 |
| WO-2021250674-A1 | A device for measuring volatile markers in breath | 2020-06-11 |
| KR-20210121475-A | Photosensitive resin composition for black bank, black bank, display device and method for manufacturing black bank | 2020-03-30 |
| EP-3800213-A1 | Blocked isocyanate polyurethane compositions using a new blocking agent, method of manufacture and uses thereof | 2019-10-01 |
| WO-2021064056-A1 | Blocked isocyanate polyurethane compositions using a new blocking agent, method of manufacture and uses thereof | 2019-10-01 |
| WO-2021028928-A1 | System and method for determining onset and disease progression | 2019-08-13 |
| KR-102081774-B1 | Sulfur-carbon composite and lithium-sulfur battery including the same | 2019-07-25 |
| KR-20190089831-A | Sulfur-carbon composite and lithium-sulfur battery including the same | 2019-07-25 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 18684335 | 2008-08-07 | Yeast cell factories for fine chemical and API production | Microbial cell factories |
