We have found 46587 results matching your criteria.
Please wait while we search...
  1. 1.
    General Material Information
  2. 2.
    PhysChem Properties
  3. 3.
    Occurrences
  4. 4.
    Organoleptic Properties
  5. 5.
    Suppliers
  6. 6.
    Potential Uses
  7. 7.
    Regulatory & Documentation
  8. 8.
    Safety Information
  9. 9.
    Other Information
  10. 10.
    Blenders & Components
  11. 11.
    Literature & References

methyl octanoate

Chemical Structure

General Material Information

Preferred name methyl octanoate
Trivial Name Methyl octanoate
Short Description methyl caprylate
Formula C9 H18 O2
CAS Number 111-11-5
FEMA Number 2728
Flavis Number 9.117
ECHA Number 203-835-0
FDA UNII 7MO740X6QL
Nikkaji Number J1.983F
Beilstein Number 1752270
MDL MFCD00009551
COE Number 398
Bio Activity Summary External link
NMR Predictor External link
JECFA Food Flavoring 173 methyl octanoate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 111-11-5 ; METHYL OCTANOATE
Synonyms
  • caprylic acid methyl ester
  • methyl caprylate
  • methyl caprylate, natural
  • methyl N-octanoate
  • nat. methyl octanoate
  • methyl octanoate (methylcaprylate)
  • methyl octylate
  • methyl-caprylate (methyl-octanoate)
  • methylcaprylate
  • methyloctanoate
  • octanoic acid methyl ester
  • N- octanoic acid methyl ester
  • octanoic acid, methyl ester
  • Uniphat A 20
  • Pastell M 08
  • Witconol 1095
  • Witconol 2309
  • Radia 7984
  • NSC 3710
  • Pastell M 8
  • Agnique ME 890

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

Google Scholar Start search
Google Books Start search
Google Patents Start search
Perfumer & Flavorists Start search
EU Patents Start search
PubMeb Start search
NCBI Start search

Literature & References

methyl octanoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:111-11-5
Pubchem (cid):8091
Pubchem (sid):134974861
Flavornet:111-11-5
Pherobase:View
Publications by Info
Volatile Flavor Components in Bogyojosaeng and Suhong Cultivars of Strawberry (Fragaria ananassa Duch.)
Publications by PubMed
Investigation of the Photochemical Reactivity of Soot Particles Derived from Biofuels Toward NO2. A Kinetic and Product Study.
Effects of octane derivatives on activity of the volume-regulated anion channel in rat pancreatic β-cells.
Impact of the Mediterranean fruit fly (medfly) Ceratitis capitata on different peach cultivars: the possible role of peach volatile compounds.
Structural transitions in cholesterol-based wormlike micelles induced by encapsulating alkyl ester oils with varying architecture.
Characterization of the volatile profile of Brazilian Merlot wines through comprehensive two dimensional gas chromatography time-of-flight mass spectrometric detection.
Chemical kinetic study of the oxidation of a biodiesel-bioethanol surrogate fuel: methyl octanoate-ethanol mixtures.
Field attractants for Pachnoda interrupta selected by means of GC-EAD and single sensillum screening.
Overexpression of the apple alcohol acyltransferase gene alters the profile of volatile blends in transgenic tobacco leaves.
Determination of volatile fatty acid ethyl esters in raw spirits using solid phase microextraction and gas chromatography.
Investigation of fatty acid esters to replace isopropyl myristate in the sterility test for ophthalmic ointments.
Purification and characterization of organic solvent-stable lipase from organic solvent-tolerant Pseudomonas aeruginosa LST-03.
Purification and characterization of lipase from Rhizopus chinensis cells.
Quantitation of short-chain glycerol-bound compounds in thermoxidized and used frying oils. A monitoring study during thermoxidation of olive and sunflower oils.
Improving tomato harvest index by controlling crop height and side shoot production.
Solution structure of polymyxins B and E and effect of binding to lipopolysaccharide: an NMR and molecular modeling study.
Genotypic and phenotypic characterization of the Drosophila melanogaster olfactory mutation Indifferent.
Effect of alpha-tocopherol on the volatile thermal decomposition products of methyl linoleate hydroperoxides.
The effects of homologous series of anaesthetics on a resting potassium conductance of the squid giant axon.
Observations concerning the nature of sites of anaesthetic action in Gammarus.
Distribution of 14C after oral administration of [U-14C]labeled methyl linoleate hydroperoxides and their secondary oxidation products in rats.
Anaesthetic action of esters and ketones: evidence for an interaction with the sodium channel protein in squid axons.
Potential toxins of acute liver failure and their effects on blood-brain barrier permeability.
The action of alcohols and other non-ionic surface active substances on the sodium current of the squid giant axon.

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
Golm Metabolome Database:Search
HMDB (The Human Metabolome Database):HMDB31291
FooDB:FDB003337
YMDB (Yeast Metabolome Database):YMDB01339
Export Tariff Code:2915.90.0000
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Formulations/Preparations:
grades: technical; 99.8%

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 158.24085998535
Specific gravity @ 25 °C
Pounds per Gallon 7.256 to 7.339
Refractive Index 1.412 to 1.422 @ 20 °C
Boiling Point 194 to 195°C @ 760 mm Hg
Vapor Pressure 0.523 mmHg @ 25 °C
Vapor Density 5.4
Flash Point TCC Value 72.78 °C TCC
logP (o/w) 3.333 est
Solubility
alcohol Yes
dipropylene glycol Yes
water, 64 mg/L @ 20 °C (exp) Yes
water No

Organoleptic Properties

Odor Type: Waxy
waxy, green, sweet, orange, aldehydic, vegetable, herbal
General comment At 100.00 %. waxy green sweet orange aldehydic vegetable herbal
Mosciano, Gerard P&F 19, No. 3, 51, (1994) Waxy, green, sweet, orange and aldehydic with vegetative and herbal nuances
Flavor Type: Green
green, fruity, waxy, citrus, aldehydic, fatty
Mosciano, Gerard P&F 19, No. 3, 51, (1994) At 20.00 ppm. Green, fruity, waxy, citrus, aldehydic and fatty
General comment OILY, SOMEWHAT ORANGE TASTE

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.
Oral/Parenteral Toxicity:
intravenous-mouse LDLo 48 mg/kg
Journal of the Reticuloendothelial Society. Vol. 3, Pg. 250, 1966.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in use information

Category:
cosmetic, 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 methyl octanoate usage levels up to:
2.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 9.70 (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: 1.0000040.00000
beverages(nonalcoholic): 0.020001.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 1.0000010.00000
fruit ices: 1.0000010.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -13.00000
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

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):111-11-5
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :8091
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:1
methyl octanoate
Chemidplus:0000111115
EPA/NOAA CAMEO:hazardous materials
RTECS:RH0778000 for cas# 111-11-5