Octanoic acid, 3-hydroxy-, ethyl ester


Chemical Name: Octanoic acid, 3-hydroxy-, ethyl ester
CAS Number: 7367-90-0
Product Number: AG005XYS(AGN-PC-0JLHQ0)
Synonyms:
MDL No:
Molecular Formula: C10H20O3
Molecular Weight: 188.2640

Identification/Properties


Properties
BP:
277.5°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Liquid
Computed Properties
Molecular Weight:
188.267g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
8
Exact Mass:
188.141g/mol
Monoisotopic Mass:
188.141g/mol
Topological Polar Surface Area:
46.5A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
134
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



Ethyl 3-hydroxyoctanoate, also known as ethyl 3-hydroxyoctanoate, is a versatile compound commonly used in chemical synthesis for its unique properties and applications. This compound serves as a key building block in the production of various pharmaceuticals, flavors, and fragrances. In chemical synthesis, Ethyl 3-hydroxyoctanoate acts as a precursor in the formation of esters, which are essential for creating a wide range of products in the food, cosmetic, and pharmaceutical industries. Its distinct structure and reactivity make it an ideal candidate for facilitating complex organic reactions and creating diverse chemical structures. Additionally, Ethyl 3-hydroxyoctanoate is valued for its pleasant fruity aroma, making it a popular choice in the fragrance industry. Its ability to impart desirable scents and flavors to products highlights its significance in chemical synthesis as a versatile and impactful compound.