butyl octanoate
octanoic acid, butyl ester
Identification
| Name | butyl octanoate |
| IUPAC | butyl octanoate |
| CAS Number | 589-75-3 |
| EINECS | 209-659-0 |
| FDA UNII | 4I64Y9N2WO |
| Molecular Formula | C12 H24 O2 |
| Molecular Weight | 200.32168000 |
| MDL Number | MFCD00048918 |
| Nikkaji Number | J94.996E |
| CoE Number | 742 |
Regulatory
| DG SANTE Food Flavourings | 09.209 butyl octanoate |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.86300 to 0.86600 @ 20.00 °C. |
| Pounds per Gallon - (est). | 7.189 to 7.214 |
| Refractive Index | 1.42300 to 1.42600 @ 25.00 °C. |
| Melting Point | -42.90 °C. @ 760.00 mm Hg |
| Boiling Point | 240.00 to 241.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.035000 mmHg @ 25.00 °C. (est) |
| Flash Point | 210.00 °F. TCC ( 98.89 °C. ) |
| logP (o/w) | 4.861 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
| Similar Items | note |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Description | at 100.00 %. |
Safety Information
| Preferred SDS | View |
| Oral/Parenteral Toxicity | Not determined |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | flavor and fragrance agents |
| RIFM Fragrance Material Safety Assessment | Search |
| Recommendation for butyl octanoate usage levels up to | 5.0000 % in the fragrance concentrate. |
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Potential Uses
Natural Occurrence
Synonyms
butyl caprylate
butyl N-octanoate
butyl-caprylate (butyl-octanoate)
caprylic acid n-butyl ester
octanoic acid butyl ester
octanoic acid, butyl ester
PubMed:
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Optimization and validation of an automated DHS-TD-GC-MS method for the determination of aromatic esters in sweet wines.
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Ketogenesis from oleate and octanoate in isolated rat hepatocytes.
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Classification of wines from five Spanish origin denominations by aromatic compound analysis.
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Enantiomeric separation of N-protected amino acids by non-aqueous capillary electrophoresis using quinine or tert-butyl carbamoylated quinine as chiral additive.
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An LC method for monitoring medium-chain fatty acid permeation through CaCo-2 cell monolayers.
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Screening and identification of a novel lipase from Burkholderia sp. YY62 which hydrolyzes t-butyl esters effectively.
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Purification and characterization of tert-butyl ester-hydrolyzing lipase from Burkholderia sp. YY62.
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Enantiomer separation of N-protected amino acids by non-aqueous capillary electrophoresis and high-performance liquid chromatography with tert.-butyl carbamoylated quinine in either the background electrolyte or the stationary phase.
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Characterization of fermentative behaviors of lactic acid bacteria in grape wines through 1H NMR- and GC-based metabolic profiling.
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Antioxidant effects of pyruvate in isolated rat hearts.
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Enzymatic reactions and synthesis of n-butyl caproate: esterification, transesterification and aminolysis using a recombinant lipase from Geobacillus thermoleovorans CCR11.
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Ester synthesis catalyzed by Mucor miehei lipase immobilized on magnetic polysiloxane-polyvinyl alcohol particles.
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Mitochondrial formation of beta-oxopropyl metabolites from bladder carcinogenic omega-carboxyalkylnitrosamines.
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Vitamin A and vitamin A palmitate stability over time and under UVA and UVB radiation.
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Non-aqueous capillary electrophoretic enantioseparation of N-derivatized amino acids using cinchona alkaloids and derivatives as chiral counter-ions.
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Fluorenyl fatty acids as fluorescent probes for depth-dependent analysis of artificial and natural membranes.
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Synthetic derivatives of the alpha- and beta-amyrin triterpenes and their antinociceptive properties.
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Role of fatty acyl coenzyme A oxidase in the efflux of oxidized glutathione from perfused livers of rats treated with the peroxisome proliferator nafenopin.
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Transcriptomic responses of European flounder (Platichthys flesus) to model toxicants.
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Induced hemichrome formation of methemoglobins A, S and F by fatty acids, alkyl ureas and urea.
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Analogues of amphibian alkaloids: total synthesis of (5R,8S,8aS)-(-)-8-methyl-5-pentyloctahydroindolizine (8-epi-indolizidine 209B) and [(1S,4R,9aS)-(-)-4-pentyloctahydro-2H-quinolizin-1-yl]methanol.
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Characterization of aroma compounds of chinese "Wuliangye" and "Jiannanchun" liquors by aroma extract dilution analysis.
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Phospholipid furan fatty acids and ubiquinone-8: lipid biomarkers that may protect dehalococcoides strains from free radicals.
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Biosynthesis of straight-chain ester volatiles in red delicious and granny smith apples using deuterium-labeled precursors.
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Enantiomeric separation of N-protected amino acids by non-aqueous capillary electrophoresis with dimeric forms of quinine and quinidine derivatives serving as chiral selectors.
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Heating unsaturated fatty acids in air produces hemagglutinins.
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Design, synthesis, and fluorescence studies of fluorenyl fatty acids as new depth-dependent fluorescent probes for membranes: getting over the looping-back problem.
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Depletion of estrogen receptor in human breast tumor cells by a novel substituted indole that does not bind to the hormone binding domain.
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Partitioning of (+-)-5,6-dihydro-6-phenyl-2-n-alkyl-imidazo- [2,1-b]thiazoles into large unilamellar liposomes: a steady-state fluorescence quenching study.
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Transverse location of new fluorene based depth dependent fluorescent probes in membranes--quenching studies with 9,10-dibromostearic acid.
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Ester-exchange catalyzed by lipase modified with polyethylene glycol.