7563-37-3

Basic information

• Product Name: heptanoate
• Synonyms: heptanoate;EINECS 231-459-7;Heptanoic acidanion
• CAS NO: 7563-37-3
• Molecular Formula: C₇H₁₃O₂
• Molecular Weight: 129.17692
• EINECS: 231-459-7
• Mol File: 7563-37-3.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 222.6 °C at 760 mmHg
• Flash Point: 99.2 °C
• Appearance: /
• CAS DataBase Reference: heptanoate(CAS DataBase Reference)
• NIST Chemistry Reference: heptanoate(7563-37-3)
• EPA Substance Registry System: heptanoate(7563-37-3)

Safety Data

• Hazardous Substances Data: 7563-37-3(Hazardous Substances Data)

Usage

Definition

ChEBI: A medium-chain fatty acid anion that is the conjugate base of heptanoic acid; shown in myocardial ischaemia/reperfusion studies to increase levels of C4 Kreb's cycle intermediates.

InChI:InChI=1/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)/p-1

Upstream product

• 111-14-8 oenanthic acid 
• 1956-08-7 p-nitrophenyl heptanoate 
• 461-55-2 butyrate 
• 56052-18-7 m-nitrophenyl hexanoate 
• 106-30-9 ethyl heptanoate 

Relevant articles and documents

Formation of interim by-products in methanogenic degradation of butyrate

The formation of interim by-products during the methanogenic degradation of butyrate was monitored and analyzed in this study. Two series of experiments were conducted at various butyrate concentrations and under the influence of increased partial pressur

Lactones. 2. Enthalpies of hydrolysis, reduction, and formation of the C4-C13 monocyclic lactones. Strain energies and conformations

The enthalpies of hydrolysis of the monocyclic lactones from γ-butyrolactone to tridecanolactone were determined calorimetrically, and the acyclic ethyl having the number of atoms were studied in the fashion. The enthalpies of reduction of the lactones to the corresponding α,ω-alkanediols with lithium triethylborohydride also were determined. The enthalpies of formation of the lactones and the ethyl esters were derived from these data. They were converted to values for the gas phase by measuring the enthalpies of vaporization of ethyl esters and of lactones. In the of γ-butyrolactone and δ-valerolactone, the enthalpies of formation were in good accord with the previously reported values determined via combustion calorimetry. The strain energies of the lactones were obtained via isodesmic reactions. Valerolactone had a strain energy of 11 kcal/mol, and the largest strain energy was found with octanolactone (13 kcal/mol). The conformations of γ-butyrolactone and δ-valerolactone were studied via MP2/6-31G* geometry optimizations, and the conformations of the other lactones were studied with use of the molecular mechanics program MM3. The energies of the lactones estimated via molecular mechanics were compared with the experimental results.

CYCLODEXTRIN-CATALYZED HYDROLYSIS OF ESTERS BEARING A HYDROPHOBIC TAIL

γ-Cyclodextrin-catalyzed hydrolysis of p-nitrophenyl esters bearing a long alkyl chain proceeded with larger rate acceleration than those with a short alkyl chain.Such rate acceleration behavior was not observed with β-cyclodextrin.The results suggest that the esters with a long alkyl chain take a folded structure (Type A) in the γ-cyclodextrin cavity.