111-11-5 | Methyl octanoate

Packsize	Purity	Availability	Price	Discounted Price
1g	95%	in stock	$15.00	$10.00
5g	95%	in stock	$16.00	$11.00
10g	95%	in stock	$18.00	$12.00
25g	95%	in stock	$25.00	$17.00
100g	95%	in stock	$58.00	$40.00
500g	95%	in stock	$95.00	$66.00

Description

• Catalog Number: AB76112
• Chemical Name: Methyl octanoate
• CAS Number: 111-11-5
• Molecular Formula: C9H18O2
• Molecular Weight: 158.23801999999998
• MDL Number: MFCD00009551
• SMILES: CCCCCCCC(=O)OC
• NSC Number: 3710

Computed Properties

• Complexity: 99.7
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 11
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• XLogP3: 3.6

Upstream Synthesis Route

Methyl octanoate, also known as octanoic acid methyl ester, plays a crucial role in various chemical synthesis applications. This compound is commonly used as a flavoring agent in the food industry, imparting a fruity and sweet aroma to products. In addition to its use in the culinary field, methyl octanoate is also utilized in the production of fragrances and perfumes, where it contributes to the creation of complex and appealing scents. Furthermore, this compound serves as a key intermediate in the synthesis of other organic compounds, making it a valuable building block for the creation of various chemicals and materials. By leveraging the unique chemical properties of methyl octanoate, researchers and chemists can explore its potential in diverse applications across the pharmaceutical, cosmetic, and industrial sectors.

Literature

• Structural transitions in cholesterol-based wormlike micelles induced by encapsulating alkyl ester oils with varying architecture.

  Journal of colloid and interface science 20120715

• Characterization of the volatile profile of Brazilian Merlot wines through comprehensive two dimensional gas chromatography time-of-flight mass spectrometric detection.

  Journal of chromatography. A 20120224

• Comparative analysis of the volatile fraction of fruit juice from different Citrus species.

  PloS one 20110101

• Chemical kinetic study of the oxidation of a biodiesel-bioethanol surrogate fuel: methyl octanoate-ethanol mixtures.

  The journal of physical chemistry. A 20100325

• Field attractants for Pachnoda interrupta selected by means of GC-EAD and single sensillum screening.

  Journal of chemical ecology 20090901

• Overexpression of the apple alcohol acyltransferase gene alters the profile of volatile blends in transgenic tobacco leaves.

  Physiologia plantarum 20081101

• Determination of volatile fatty acid ethyl esters in raw spirits using solid phase microextraction and gas chromatography.

  Analytica chimica acta 20080414

• Investigation of fatty acid esters to replace isopropyl myristate in the sterility test for ophthalmic ointments.

  Journal of pharmaceutical and biomedical analysis 20061116

• Quantitation of short-chain glycerol-bound compounds in thermoxidized and used frying oils. A monitoring study during thermoxidation of olive and sunflower oils.

  Journal of agricultural and food chemistry 20050518

• Identification of odoriferous compounds from adults of a swallowtail butterfly, Papilio machaon (Lepidoptera: Papilionidae).

  Zeitschrift fur Naturforschung. C, Journal of biosciences 20010101