Identification

Namebutyl octanoate
IUPACbutyl octanoate
CAS Number589-75-3
EINECS209-659-0
FDA UNII4I64Y9N2WO
Molecular FormulaC12 H24 O2
Molecular Weight200.32168000
MDL NumberMFCD00048918
Nikkaji NumberJ94.996E
CoE Number742

Regulatory

DG SANTE Food Flavourings09.209 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

CosIngcosmetic data
Cosmetic Usesperfuming agents

Organoleptic Properties

Odor Description at 100.00 %.

Safety Information

Preferred SDSView
Oral/Parenteral ToxicityNot determined
Dermal ToxicityNot determined
Inhalation ToxicityNot determined

GHS Classification

['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']

Safety in Use

Categoryflavor and fragrance agents
RIFM Fragrance Material Safety AssessmentSearch
Recommendation for butyl octanoate usage levels up to5.0000 % in the fragrance concentrate.

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Potential Uses

FR butter FR herbal

Natural Occurrence

carica pubescens plum fruit

Synonyms

butyl caprylate butyl N-octanoate butyl-caprylate (butyl-octanoate) caprylic acid n-butyl ester octanoic acid butyl ester octanoic acid, butyl ester PubMed: Optimisation of flavour ester biosynthesis in an aqueous system of coconut cream and fusel oil catalysed by lipase. PubMed: The effects of counterion composition on the rheological and conductive properties of mono- and diphosphonium ionic liquids. PubMed: Optimization and validation of an automated DHS-TD-GC-MS method for the determination of aromatic esters in sweet wines. PubMed: Ketogenesis from oleate and octanoate in isolated rat hepatocytes. PubMed: Characterization of aroma compounds of Chinese famous liquors by gas chromatography-mass spectrometry and flash GC electronic-nose. PubMed: Classification of wines from five Spanish origin denominations by aromatic compound analysis. PubMed: Impact of the Mediterranean fruit fly (medfly) Ceratitis capitata on different peach cultivars: the possible role of peach volatile compounds. PubMed: Sonication in combination with heat and low pressure as an alternative pasteurization treatment--effect on Escherichia coli K12 inactivation and quality of apple cider. PubMed: Enantiomeric separation of N-protected amino acids by non-aqueous capillary electrophoresis using quinine or tert-butyl carbamoylated quinine as chiral additive. PubMed: An LC method for monitoring medium-chain fatty acid permeation through CaCo-2 cell monolayers. PubMed: Screening and identification of a novel lipase from Burkholderia sp. YY62 which hydrolyzes t-butyl esters effectively. PubMed: Purification and characterization of tert-butyl ester-hydrolyzing lipase from Burkholderia sp. YY62. PubMed: 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. PubMed: Characterization of fermentative behaviors of lactic acid bacteria in grape wines through 1H NMR- and GC-based metabolic profiling. PubMed: Antioxidant effects of pyruvate in isolated rat hearts. PubMed: Enzymatic reactions and synthesis of n-butyl caproate: esterification, transesterification and aminolysis using a recombinant lipase from Geobacillus thermoleovorans CCR11. PubMed: Anaesthetic action of esters and ketones: evidence for an interaction with the sodium channel protein in squid axons. PubMed: Ester synthesis catalyzed by Mucor miehei lipase immobilized on magnetic polysiloxane-polyvinyl alcohol particles. PubMed: Evaluation of polyurethane foam as a trapping medium for herbicide vapor in air monitoring and worker inhalation studies. PubMed: Mitochondrial formation of beta-oxopropyl metabolites from bladder carcinogenic omega-carboxyalkylnitrosamines. PubMed: Vitamin A and vitamin A palmitate stability over time and under UVA and UVB radiation. PubMed: Non-aqueous capillary electrophoretic enantioseparation of N-derivatized amino acids using cinchona alkaloids and derivatives as chiral counter-ions. PubMed: Fluorenyl fatty acids as fluorescent probes for depth-dependent analysis of artificial and natural membranes. PubMed: Synthetic derivatives of the alpha- and beta-amyrin triterpenes and their antinociceptive properties. PubMed: Role of fatty acyl coenzyme A oxidase in the efflux of oxidized glutathione from perfused livers of rats treated with the peroxisome proliferator nafenopin. PubMed: Transcriptomic responses of European flounder (Platichthys flesus) to model toxicants. PubMed: Induced hemichrome formation of methemoglobins A, S and F by fatty acids, alkyl ureas and urea. PubMed: 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. PubMed: Characterization of aroma compounds of chinese "Wuliangye" and "Jiannanchun" liquors by aroma extract dilution analysis. PubMed: Phospholipid furan fatty acids and ubiquinone-8: lipid biomarkers that may protect dehalococcoides strains from free radicals. PubMed: Biosynthesis of straight-chain ester volatiles in red delicious and granny smith apples using deuterium-labeled precursors. PubMed: Enantiomeric separation of N-protected amino acids by non-aqueous capillary electrophoresis with dimeric forms of quinine and quinidine derivatives serving as chiral selectors. PubMed: Heating unsaturated fatty acids in air produces hemagglutinins. PubMed: Design, synthesis, and fluorescence studies of fluorenyl fatty acids as new depth-dependent fluorescent probes for membranes: getting over the looping-back problem. PubMed: Depletion of estrogen receptor in human breast tumor cells by a novel substituted indole that does not bind to the hormone binding domain. PubMed: 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. PubMed: Transverse location of new fluorene based depth dependent fluorescent probes in membranes--quenching studies with 9,10-dibromostearic acid. PubMed: Ester-exchange catalyzed by lipase modified with polyethylene glycol.