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octyl acetate

Chemical Structure

General Material Information

Preferred name octyl acetate
Trivial Name Octyl acetate
Short Description acetic acid, octyl ester
Formula C10 H20 O2
CAS Number 112-14-1
FEMA Number 2806
ECHA Number 203-939-6
FDA UNII X0FN2J413S
Nikkaji Number J1.992E
Beilstein Number 1754554
MDL MFCD00009562
COE Number 197
NMR Predictor External link
JECFA Food Flavoring 130 octyl acetate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 112-14-1 ; OCTYL ACETATE
Synonyms
  • acetate C-8
  • acetate C-8 (natural)
  • acetate C-8 FCC
  • acetic acid n-octyl ester
  • acetic acid, octyl ester
  • caprylyl acetate
  • 1-octanol acetate
  • N- octanyl acetate
  • 1-octyl acetate
  • N- octyl acetate
  • nat. octyl acetate
  • octyl acetate FCC
  • octyl acetate natural
  • 1-octyl acetate natural
  • octyl acetate/acetate C-8 (oxi)
  • octyl alcohol acetate
  • octyl ethanoate
  • N- octyl ethanoate
  • octyl-acetate FCC
  • octyle acetate
  • n-Octyl acetate
  • 1-Octyl acetate
  • 1-Acetoxyoctane
  • 1-Octanol acetate
  • NSC 67348
  • Acetic acid octanyl ester
  • Octanyl acetate

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

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Literature & References

octyl acetate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:112-14-1
Pubchem (cid):8164
Pubchem (sid):134975694
Pherobase:View
Publications by PubMed
Grape contribution to wine aroma: production of hexyl acetate, octyl acetate, and benzyl acetate during yeast fermentation is dependent upon precursors in the must.
Expression of plant flavor genes in Lactococcus lactis.
Volatile Flavor Compounds Produced by Molds of Aspergillus, Penicillium, and Fungi imperfecti.
Parameters optimization of supercritical fluid-CO2 extracts of frankincense using response surface methodology and its pharmacodynamics effects.
Chemical composition and antimicrobial activity of essential oil of Heracleum rigens.
[Determination of alpha-pinene and octyl acetate contents in Boswellia serrata].
Evaluation of the use of Syzygium cumini fruit extract as an antioxidant additive in orange juice and its sensorial impact.
[GC-MS analysis of volatile oil of olibanum].
Composition and biological activities of hogweed [Heracleum sphondylium L. subsp. ternatum (Velen.) Brummitt] essential oil and its main components octyl acetate and octyl butyrate.
Solvent-Free Synthesis of Flavour Esters through Immobilized Lipase Mediated Transesterification.
[Determination of alpha-pinene and octyl acetate contents in Boswellia serrata].
[Analyze on volatile compounds of Antrodia camphorata using HS-SPME-GC-MS].
Grape contribution to wine aroma: production of hexyl acetate, octyl acetate, and benzyl acetate during yeast fermentation is dependent upon precursors in the must.
Water-stable all-biodegradable microparticles in nanofibers by electrospinning of aqueous dispersions for biotechnical plant protection.
Evaluation of the use of Syzygium cumini fruit extract as an antioxidant additive in orange juice and its sensorial impact.
[GC-MS analysis of volatile oil of olibanum].
Odorant-binding proteins of the malaria mosquito Anopheles funestus sensu stricto.
Characterization of volatile compounds of Daucus crinitus Desf. Headspace Solid Phase Microextraction as alternative technique to Hydrodistillation.
Optogenetically Induced Olfactory Stimulation in Drosophila Larvae Reveals the Neuronal Basis of Odor-Aversion behavior.
Chemical composition and antibacterial activity of essential oil of Heracleum rechingeri Manden from Iran.
Relation between developmental stage, sensory properties, and volatile content of organically and conventionally grown pac choi (Brassica rapa var. Mei Qing Choi).
Chemical composition, allelopatic and cytotoxic effects of essential oils of flowering tops and leaves of Crambe orientalis L. from Iran.
Chemical composition, allelopatic and antimicrobial potentials of the essential oil of Zosima absinthifolia (Vent.) Link fruits from Iran.
Bioassay screening of the essential oil and various extracts from 4 spices medicinal plants.
Anti-inflammatory and analgesic properties of Heracleum persicum essential oil and hydroalcoholic extract in animal models.
Concentration-detection functions for the odor of homologous n-acetate esters.
Sex pheromone of the plant bug, Phytocoris calli knight.
Selection for chemical trait remixing in an invasive weed after reassociation with a coevolved specialist.
Influence of sorption to dissolved humic substances on transformation reactions of hydrophobic organic compounds in water. Part II: hydrolysis reactions.
Expression of plant flavor genes in Lactococcus lactis.
Cloning, expression, and characterization of a Baeyer-Villiger monooxygenase from Pseudomonas fluorescens DSM 50106 in E. coli.
Generation of phenylpropanoid pathway-derived volatiles in transgenic plants: rose alcohol acetyltransferase produces phenylethyl acetate and benzyl acetate in petunia flowers.
A chemical investigation by headspace SPME and GC-MS of volatile and semi-volatile terpenes in various olibanum samples.
Interaction forces between oil-water particle interfaces--non-DLVO forces.
Aromatic components of the leaves of the New Zealand lemonwood tree Pittosporum eugenioides.
Olfactory sensitivity for aliphatic esters in spider monkeys (Ateles geoffroyi).
Expression levels of the yeast alcohol acetyltransferase genes ATF1, Lg-ATF1, and ATF2 control the formation of a broad range of volatile esters.
[Study on the detecting methods of the imported materia medica--olibanum].
Chemistry and immunomodulatory activity of frankincense oil.
The bioactive essential oil of Heracleum sphondylium L. subsp. ternatum (Velen.) Brummitt.
Behavioral responses of the parsnip webworm to host plant volatiles.
Olfactory sensitivity for aliphatic esters in squirrel monkeys and pigtail macaques.
Intestinal absorption enhancement of the ester prodrug tenofovir disoproxil fumarate through modulation of the biochemical barrier by defined ester mixtures.
Preparation and catalytic performance of lipases encapsulated in sol-gel materials.
Composition and seasonal variation of the essential oil from leaves and peel of a Cretan lemon variety.
Olfactory discrimination ability for homologous series of aliphatic ketones and acetic esters.
Comparison of two stimulus-delivery systems for measurement of nasal pungency thresholds.
Heritability estimates for octyl acetate and octyl butyrate in the mature fruit of the wild parsnip.
Degradation of 2,4,5-trichlorophenol and 2,3,5,6-tetrachlorophenol by combining pulse electric discharge with bioremediation.
Permeability of commercial solvents through living human skin.
Multiple genetic control of acetate-induced olfactory responses in Drosophila melanogaster larvae.
Defensive secretion of rice bug,Leptocorisa oratorius fabricius, (Hemiptera: Coreidae): A unique chemical combination and its toxic, repellent, and alarm properties.
Pharmacokinetic evaluation of oral 17 beta-oestradiol and two different fat soluble analogues in ovariectomized women.
The volatiles of two bystropogon species from the canary islands (Spain).
Nasal pungency, odor, and eye irritation thresholds for homologous acetates.
Evaluation of the teratogenic potential of octyl acetate in rats.
A subchronic toxicity study of octyl acetate in rats.
Fat-soluble 17 beta-estradiol: a way of reducing dosage in steroid hormonal substitution?
Ovulation inhibition with 17 beta-estradiol cyclo-octyl acetate and desogestrel.

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):HMDB38602
FooDB:FDB017993
YMDB (Yeast Metabolome Database):YMDB01477
Export Tariff Code:2915.39.9000
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View

PhysChem Properties

Material listed in food chemical codex Yes
Molecular weight 172.26780700684
Specific gravity @ 25 °C
Pounds per Gallon 7.198 to 7.231
Refractive Index 1.419 to 1.422 @ 20 °C
Melting Point -38 to -37°C @ 760 mm Hg
Boiling Point 206 to 211°C @ 760 mm Hg
Acid Value 1 max KOH/g
Vapor Pressure 0.194 mmHg @ 25 °C
Vapor Density 5.9
Flash Point TCC Value 81.67 °C TCC
logP (o/w) 3.842 est
Shelf life 24 months (or longer if stored properly.)
Storage notes Store in cool, dry place in tightly sealed containers, protected from heat and light.
Solubility
alcohol Yes
fixed oils Yes
water, 33.39 mg/L @ 25 °C (est) Yes

Organoleptic Properties

Odor Type: Floral
green, earthy, mushroom, herbal, waxy, fruity, apple
Odor strength medium
Substantivity 16 hour(s) at 100.00 %
Luebke, William tgsc, (1982) At 100.00 %. green earthy mushroom herbal waxy
Flavor Type: Waxy
waxy, fatty, cognac, winey, mushroom, citrus, citrus peel
Luebke, William tgsc, (1982) Waxy fatty cognac winey mushroom citrus citrus peel

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)
Flammable liquids (Category 3), H226
Acute toxicity, Oral (Category 5), H303
GHS Label elements, including precautionary statements
Pictogramflame.jpg
Signal word Warning
Hazard statement(s)
H226 - Flammable liquid and vapour
H303 - May be harmfulif swallowed
Precautionary statement(s)
P210 - Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P233 - Keep container tightly closed.
P240 - Ground/bond container and receiving equipment.
P241 - Use explosion-proof electrical/ventilating/lighting/…/equipment.
P242 - Use only non-sparking tools.
P243 - Take precautionary measures against static discharge.
P280 - Wear protective gloves/protective clothing/eye protection/face protection.
P303 + P361 + P353 - IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P312 - Call a POISON CENTER or doctor/physician if you feel unwell.
P370 + P378 - In case of fire: Use appropriate media to extinguish.
P403 + P235 - Store in a well-ventilated place. Keep cool.
P501 - Dispose of contents/container in accordance with local/regional/national/international regulations.
Human Experience:
8 % solution: no irritation or sensitization.
Oral/Parenteral Toxicity:
oral-rat LD50 3000 mg/kg
Food and Cosmetics Toxicology. Vol. 12, Pg. 815, 1974.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 12, Pg. 815, 1974.

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 octyl acetate usage levels up to:
8.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 83.00 (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. Update in publication number(s): 18
Click here to view publication 3
average usual ppmaverage maximum ppm
baked goods: -6.00000
beverages(nonalcoholic): -1.60000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -0.87000
fruit ices: -0.87000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -4.70000
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):112-14-1
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :8164
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1993
WGK Germany:2
octyl acetate
Chemidplus:0000112141
RTECS:AJ1400000 for cas# 112-14-1