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hexyl butyrate

Chemical Structure

General Material Information

Preferred name hexyl butyrate
Trivial Name Hexyl butyrate
Short Description butyric acid, hexyl ester
Formula C10 H20 O2
CAS Number 2639-63-6
FEMA Number 2568
Flavis Number 9.045
ECHA Number 220-136-6
FDA UNII 74HY6P24G7
Nikkaji Number J77.594K
Beilstein Number 1754469
MDL MFCD00048884
COE Number 271
NMR Predictor External link
JECFA Food Flavoring 153 hexyl butyrate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 2639-63-6 ; HEXYL BUTYRATE
Synonyms
  • butanoic acid hexyl ester
  • butanoic acid, hexyl ester
  • butyric acid hexyl ester
  • butyric acid, hexyl ester
  • hexyl butanoate
  • N- hexyl butanoate
  • 1-hexyl butyrate
  • N- hexyl butyrate
  • nat. hexyl butyrate
  • hexyl butyrate natural
  • N- hexyl N-butanoate
  • hexyl-butyrate
  • hexyl-N-butyrate natural
  • hexylbutyrate
  • hexyle butyrate
  • n-Hexyl butanoate
  • n-Hexyl n-butyrate
  • n-Hexyl butyrate
  • 1-Hexyl butyrate

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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Literature & References

hexyl butanoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:2639-63-6
Pubchem (cid):17525
Pubchem (sid):134982424
Flavornet:2639-63-6
Pherobase:View
Publications by Info
Volatile Flavor Components in Bogyojosaeng and Suhong Cultivars of Strawberry (Fragaria ananassa Duch.)
Publications by PubMed
Identification of the Female-Produced Sex Pheromone of the Plant Bug Apolygus spinolae.
Further studies on sex pheromones of female Lygus and related bugs: development of effective lures and investigation of species-specificity.
Antibacterial activity of the essential oil of Heracleum sibiricum.
Sex pheromone component ratios and mating isolation among three Lygus plant bug species of North America.
The preferential binding of a sensory organ specific odorant binding protein of the alfalfa plant bug Adelphocoris lineolatus AlinOBP10 to biologically active host plant volatiles.
Anti-Candida zeylanoides activity of some Iranian plants used in traditional medicine.
Identification and field evaluation of pear fruit volatiles attractive to the oriental fruit moth, Cydia molesta.
Aliphatic esters as targets of esterase activity in the parsnip webworm (Depressaria pastinacella).
Identification of host fruit volatiles from three mayhaw species (Crataegus series Aestivales) attractive to mayhaw-origin Rhagoletis pomonella flies in the southern United States.
Identification of fruit volatiles from green hawthorn (Crataegus viridis) and blueberry hawthorn (Crataegus brachyacantha) host plants attractive to different phenotypes of Rhagoletis pomonella flies in the southern United States.
Headspace-solid phase microextraction coupled to gas chromatography-combustion-isotope ratio mass spectrometer and to enantioselective gas chromatography for strawberry flavoured food quality control.
Effects of age and mating on female sex attractant pheromone levels in the sorghum plant bug, Stenotus rubrovittatus (Matsumura).
Bioassay screening of the essential oil and various extracts from 4 spices medicinal plants.
Attraction and antennal response of the common wasp, Vespula vulgaris (L.), to selected synthetic chemicals in New Zealand beech forests.
Anti-inflammatory and analgesic properties of Heracleum persicum essential oil and hydroalcoholic extract in animal models.
On the nature of ionic liquids and their effects on lipases that catalyze ester synthesis.
Female-induced increase of host-plant volatiles enhance specific attraction of aphid male Dysaphis plantaginea (Homoptera: Aphididae) to the sex pheromone.
Vicia faba-Lygus rugulipennis interactions: induced plant volatiles and sex pheromone enhancement.
Production and predator-induced release of volatile chemicals by the plant bug Lygus hesperus.
Cloning, expression, and characterization of a Baeyer-Villiger monooxygenase from Pseudomonas fluorescens DSM 50106 in E. coli.
Chemesthesis from volatile organic compounds: Psychophysical and neural responses.
Attraction of male European tarnished plant bug, Lygus rugulipennis to components of the female sex pheromone in the field.
Investigation of long-range female sex pheromone of the European tarnished plant bug, Lygus rugulipennis: chemical, electrophysiological, and field studies.
Criteria to design green enzymatic processes in ionic liquid/supercritical carbon dioxide systems.
Male-produced anti-sex pheromone in a plant bug.
Volatile compounds released by disturbed and calm adults of the tarnished plant bug, Lygus lineolaris.
Neurophysiological and behavioural evidence for an olfactory function for the dorsal organ and a gustatory one for the terminal organ in Drosophila melanogaster larvae.
Olfactory reception of potential pheromones and plant odors by tarnished plant bug,Lygus lineolaris (Hemiptera: Miridae).
Sex pheromone of the mullein bug,Campylomma verbasci (Meyer) (Heteroptera: Miridae).
Identification of apple volatiles attractive to the apple maggot,Rhagoletis pomonella.
[Arthropathy and thyroid dysfunction; new treatment with n-hexyl-butyrate and bismuth].
[Influence of desoxycorticosterone, n-hexyl butyrate, alpha-naphthylthiourea, and gum arabic on the survival of rats following a mortal dose of x-rays].

Other Information

(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
FDA Substances Added to Food (formerly EAFUS):View
CHEBI:View
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB33620
FooDB:FDB011708
Export Tariff Code:2915.90.5050
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 172.26780700684
Boiling Point 204 to 206°C @ 760 mm Hg
Vapor Pressure 0.233 mmHg @ 25 °C
Vapor Density 5.9
Flash Point TCC Value 81.11 °C TCC
logP (o/w) 3.842 est
Solubility
alcohol Yes
water, 33.39 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Green
green, sweet, fruity, apple, waxy, soapy, estery, vegetable
Odor strength medium , recommend smelling in a 10.00 % solution or less
Substantivity 4 hour(s) at 100.00 %
Luebke, William tgsc, (1992) At 10.00 % in dipropylene glycol. green sweet fruity apple waxy soapy
Mosciano, Gerard P&F 22, No. 6, 41, (1997) At 2.00 %. Green, fruity, estry and vegetative with a waxy nuance
Flavor Type: Green
green, waxy, soapy, fruity
Mosciano, Gerard P&F 22, No. 6, 41, (1997) At 5.00 ppm. Green, waxy, soapy and fruity
General comment Green, fruity, waxy, soapy

Occurrences

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
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.
Human Experience:
12 % solution: no irritation or sensitization.
Oral/Parenteral Toxicity:
oral-rat LD50 > 5000 mg/kg
(Moreno, 1977b)

oral-rat LD50 > 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 17, Pg. 815, 1979.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 17, Pg. 815, 1979.

Inhalation Toxicity:
Not determined

Safety in use information

Category:
flavor and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for hexyl butyrate usage levels up to:
8.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 110.00 (μg/capita/day)
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 3
Click here to view publication 3
average usual ppmaverage maximum ppm
baked goods: -8.60000
beverages(nonalcoholic): -2.60000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -2.10000
fruit ices: -2.10000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -7.80000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --

Safety references

European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

European Food Safety Authority (EFSA) reference(s):

Flavouring Group Evaluation 2, Revision 1 (FGE.02) : Branched- and straight-chain aliphatic saturated primary alcohols and related esters of primary alcohols and straight-chain carboxylic acids and one straight-chain aldehyde from chemical groups 1 and 2 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
View page or View pdf

Scientific Opinion on the safety and efficacy of straight-chain primary aliphatic alcohols/aldehydes/acids, acetals and esters with esters containing saturated alcohols and acetals containing saturated aldehydes (chemical group 1) when used as flavourings for all animal species
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):2639-63-6
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :17525
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
hexyl butanoate
Chemidplus:0002639636
RTECS:ET4203000 for cas# 2639-63-6