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
Canonical 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 ℃ / 760 mmHg
Flash Point
156.2 °F
Purity
98 %
Density
0.989 g/mL (25 ℃)
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
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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