EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

butyl octanoate
octanoic acid, butyl ester

Sponsors

Name:butyl octanoate
CAS Number: 589-75-3Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:209-659-0
Nikkaji Web:J94.996E
MDL:MFCD00048918
CoE Number:742
XlogP3-AA:4.40 (est)
Molecular Weight:200.32168000
Formula:C12 H24 O2
NMR Predictor:Predict (works with chrome or firefox)
Category:flavor and fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
FLAVIS Number:09.209 (Old)
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 mm/Hg @ 25.00 °C. (est)
Flash Point: 210.00 °F. TCC ( 98.89 °C. )
logP (o/w): 4.861 (est)
Soluble in:
 alcohol
 water, 3.517 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items:note
allyl octanoate
amyl octanoate
isoamyl octanoate
benzyl octanoate
isobutyl octanoate
citronellyl octanoate
ortho-cresyl octanoate
para-cresyl octanoate
decyl octanoate
ethyl 4-methyl octanoate
ethyl octanoate
furfuryl octanoate
geranyl octanoate
heptyl octanoate
(E)-2-hexen-1-yl octanoate
(Z)-3-hexen-1-yl octanoate
hexyl octanoate
linalyl octanoate
2-methyl butyl octanoate
methyl octanoate
nonyl octanoate
octyl octanoate
phenethyl octanoate
propyl octanoate
isopropyl octanoate
sulfuryl octanoate
 
Organoleptic Properties:
Odor Type: buttery
Odor Strength:medium
buttery ethereal herbal
Odor Description:at 100.00 %. butter ether herbal dank
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
BOC Sciences
For experimental / research use only.
Butyl Caprylate
ECSA Chemicals
Butyl Caprylate
Company Profile
Grau Aromatics
BUTYL-CAPRYLATE (BUTYL-OCTANOATE)
NI, Kosher
Inoue Perfumery
BUTYL OCTANOATE
Lluch Essence
BUTYL CAPRYLATE
Odor: FRUITY, CITRIC, FATTY
Naturamole
butyl octanoate 98% natural EU
Penta International
BUTYL OCTANOATE
Santa Cruz Biotechnology
For experimental / research use only.
Butyl Octanoate
Sigma-Aldrich: Aldrich
For experimental / research use only.
Butyl Octanoate
SRS Aromatics
BUTYL CAPRYLATE
Odor: Butter, Ether, Herbal, Dank
TCI AMERICA
For experimental / research use only.
Butyl n-Octanoate >99.0%(GC)
Tengzhou Xiang Yuan Aroma Chemicals
Butyl Caprylate
 
Safety Information:
Preferred SDS: View
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for butyl octanoate usage levels up to:
  5.0000 % in the fragrance concentrate.
 
 
Safety References:
EPI System: View
EPA Substance Registry Services (TSCA):589-75-3
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :11517
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
butyl octanoate
Chemidplus:0000589753
 
References:
 butyl octanoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:589-75-3
Pubchem (cid):11517
Pubchem (sid):134976721
Flavornet:589-75-3
Pherobase:View
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
CHEBI:View
HMDB (The Human Metabolome Database):Search
FooDB:FDB029730
YMDB (Yeast Metabolome Database):YMDB01345
Export Tariff Code:2915.90.0000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
acidic
iso
butyric acid
FL/FR
balsamic
cinnamyl benzoate
FL/FR
bready
coffee furanone
FL/FR
buttery
acetyl butyryl
FL/FR
acetyl isobutyryl
FL/FR
acetyl propionyl
FL/FR
butyl butyryl lactate
FL/FR
2,3-
heptane dione
FL/FR
3,4-
hexane dione
FL/FR
caramellic
alpha,alpha-
dimethyl anisyl acetone
FL/FR
cheesy
butyric acid
FL/FR
coconut
gamma-
nonalactone (aldehyde C-18 (so-called))
FL/FR
coffee
1-
hydroxy-2-butanone
FL/FR
creamy
waxy lactone
FL/FR
ethereal
decyl propionate
FL/FR
ethyl formate
FL/FR
iso
valeraldehyde propylene glycol acetal
FL/FR
fatty
butyl undecylenate
FL/FR
fermented
iso
butyl decanoate
FL/FR
hexanal diethyl acetal
FL/FR
3-
methyl-1-pentanol
FL/FR
floral
benzyl lactate
FL/FR
butyl tiglate
FR
alpha-
hexyl cinnamaldehyde
FL/FR
jasmin pyranone
FL/FR
linalyl butyrate
FL/FR
octyl acetate
FL/FR
fruity
gamma-
decalactone
FL/FR
ethyl butyrate
FL/FR
ethyl heptanoate
FL/FR
ethyl lactate
FL/FR
4-
heptanone
FL/FR
prenyl isobutyrate
FL/FR
green
heptanal (aldehyde C-7)
FL/FR
(Z)-4-
heptenal
FL/FR
(Z)-3-
hexen-1-yl butyrate
FL/FR
(E)-2-
hexen-1-yl hexanoate
FL/FR
(E)-2-
hexen-1-yl valerate
FL/FR
herbal
anthemis nobilis flower oil roman
FL/FR
butyl levulinate
FL/FR
beta-
elemene
FL/FR
mushroom
1-
octen-3-yl butyrate
FL/FR
nutty
2,3-
dimethyl pyrazine
FL/FR
2-
ethyl pyrazine
FL/FR
soapy
ethyl undecanoate
FL/FR
tropical
delta-
dodecalactone
FL/FR
waxy
2-
methyl heptanoic acid
FL/FR
For Flavor
No flavor group found for these
benzyl lactate
FL/FR
iso
butyl decanoate
FL/FR
cinnamyl benzoate
FL/FR
6-
decenoic acid
FL
decyl propionate
FL/FR
alpha,alpha-
dimethyl anisyl acetone
FL/FR
beta-
elemene
FL/FR
hexanal diethyl acetal
FL/FR
3-(
methyl thio) hexanal
FL
prenyl isobutyrate
FL/FR
sodium 4-methyl-2-oxovalerate
FL
acidic
acidic
iso
butyric acid
FL/FR
alliaceous
3-
tetrahydrothiophenone
FL
brown
1-
hydroxy-2-butanone
FL/FR
buttery
2,3-
heptane dione
FL/FR
3,4-
hexane dione
FL/FR
(E)-2-
pentenoic acid
FL
caramellic
3-
methyl butyl 2-furyl butyrate
FL
coconut
gamma-
nonalactone (aldehyde C-18 (so-called))
FL/FR
creamy
acetyl butyryl
FL/FR
acetyl isobutyryl
FL/FR
butyl butyryl lactate
FL/FR
5,5-
dibutyl dihydrofuran-2(3H)-one
FL
delta-
dodecalactone
FL/FR
jasmin pyranone
FL/FR
waxy lactone
FL/FR
ethereal
ethyl formate
FL/FR
fatty
(E,E)-2,4-
undecadienal
FL
floral
linalyl butyrate
FL/FR
fruity
acetyl isovaleryl
FL
gamma-
decalactone
FL/FR
ethyl butyrate
FL/FR
ethyl heptanoate
FL/FR
ethyl lactate
FL/FR
4-
heptanone
FL/FR
iso
valeraldehyde propylene glycol acetal
FL/FR
green
heptanal (aldehyde C-7)
FL/FR
(Z)-4-
heptenal
FL/FR
(Z)-3-
hexen-1-yl butyrate
FL/FR
(E)-2-
hexen-1-yl hexanoate
FL/FR
(E)-2-
hexen-1-yl valerate
FL/FR
4-
methyl-2-pentenal
FL
herbal
anthemis nobilis flower oil roman
FL/FR
butyl levulinate
FL/FR
mushroom
1-
octen-3-yl butyrate
FL/FR
nutty
coffee furanone
FL/FR
2,3-
dimethyl pyrazine
FL/FR
2-
ethyl pyrazine
FL/FR
sour
butyric acid
FL/FR
toasted
acetyl propionyl
FL/FR
waxy
butyl undecylenate
FL/FR
ethyl undecanoate
FL/FR
alpha-
hexyl cinnamaldehyde
FL/FR
2-
methyl heptanoic acid
FL/FR
octyl acetate
FL/FR
whiskey
3-
methyl-1-pentanol
FL/FR
 
Potential Uses:
FRbutter
FRherbal
 
Occurrence (nature, food, other):note
 carica pubescens
Search Trop Picture
 plum fruit
Search Trop Picture
 
Synonyms:
 butyl caprylate
 butyl N-octanoate
 butyl-caprylate (butyl-octanoate)
 caprylic acid n-butyl ester
 octanoic acid butyl ester
 octanoic acid, butyl ester
 

Articles:

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.
 
Notes:
Flavouring compound [Flavornet]
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