2-decanone

methyl octyl ketone

CAS: 693-54-9 C10 H20 O MW: 156.26860000 floral fermented

Identification

Name2-decanone
IUPACdecan-2-one
CAS Number693-54-9
EINECS211-752-6
FDA UNIIGX543OLT0R
Molecular FormulaC10 H20 O
Molecular Weight156.26860000
MDL NumberMFCD00009571
Nikkaji NumberJ79.790A
Beilstein1747463
CoE Number11055
XlogP33.70 (est)

Regulatory

JECFA Food Flavoring2074 2-decanone
DG SANTE Food Flavourings07.150 decan-2-one
FEMA Number4271
FDANo longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF)693-54-9 ; 2-DECANONE

Physical Properties

Appearance colorless clear liquid (est)
Assay 98.00 to 100.00
Food Chemicals Codex Listed No
Specific Gravity 0.81900 to 0.82500 @ 25.00 °C.
Pounds per Gallon - (est). 6.815 to 6.865
Refractive Index 1.42100 to 1.42800 @ 20.00 °C.
Melting Point 14.00 °C. @ 760.00 mm Hg
Boiling Point 210.00 °C. @ 760.00 mm Hg
Acid Value 3.00 max. KOH/g
Vapor Pressure 0.248000 mmHg @ 25.00 °C. (est)
Vapor Density >1 ( Air = 1 )
Flash Point 185.00 °F. TCC ( 85.00 °C. )
logP (o/w) 3.730
Soluble in alcohol
Insoluble in water

Organoleptic Properties

Odor Strength medium
Substantivity > 8 hour(s) at 100.00 %
Odor Description
at 100.00 %.
orange-like floral
Taste Description
fermented cheesy
Fermented, generic cheese notes

Safety Information

Preferred SDSView
European informationMost important hazard(s):
Oral/Parenteral Toxicityoral-mouse LD50 [sex: M] 7936 mg/kg
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 2-decanone usage levels up to2.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU)0.52 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI)1600 (μg/person/day)
Threshold of Concern540 (μg/person/day)
Structure ClassII
baked goods5.00000
beverages(nonalcoholic)2.00000
beverages(alcoholic)-
breakfast cereal2.00000
cheese-
chewing gum-
condiments / relishes-
confectionery froastings4.00000
egg products-
fats / oils2.00000
fish products1.00000
frozen dairy3.00000
fruit ices3.00000
gelatins / puddings-
granulated sugar-
gravies-
hard candy-
imitation dairy-
instant coffee / tea-
jams / jellies-
meat products1.00000
milk products3.00000
nut products-
other grains-
poultry-
processed fruits2.00000
processed vegetables2.00000
reconstituted vegetables-
seasonings / flavors-
snack foods-
soft candy-
soups2.00000
sugar substitutes-
sweet sauces-
Dairy products, excluding products of category 02.0 (01.0)3.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0)2.00000
Edible ices, including sherbet and sorbet (03.0)3.00000
Processed fruit (04.1)2.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2)-
Confectionery (05.0)4.00000
Chewing gum (05.3)-
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0)2.00000
Bakery wares (07.0)5.00000
Meat and meat products, including poultry and game (08.0)1.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0)1.00000
Eggs and egg products (10.0)-
Sweeteners, including honey (11.0)-
Salts, spices, soups, sauces, salads, protein products, etc. (12.0)2.00000
Foodstuffs intended for particular nutritional uses (13.0)3.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1)2.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2)4.00000
Ready-to-eat savouries (15.0)5.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0)2.00000

Bedoukian Research, Inc.

Perfecting the Art of Chemistry

Working closely with our customers to meet their requirements.

View All Website 1-203-830-4000 customerservice@bedoukian.com

BOC Sciences

Best of Chemicals Supplier

Quality supplier of research chemicals and biochemicals including inhibitors, building blocks, GMP Products, impurities and metabolites, APIs for Veterinary, Natural Compounds, ADCs, Stem Cell Molecul...

View All Website 1-631-485-4226 account@bocsci.com

CJ Latta & Associates, LLC

Extensive Line

Aromatic Chemicals and Organic Acids.

View All Website (630) 240-8079 chiplatta@msn.com

Penta International Corporation

Chemistry innovation

At Penta, our products and services help businesses do business better.

View All Website (973) 740-2300 lisaa@pentamfg.com

Sigma-Aldrich

Complete Supply Chain

The perfect blend of products and services that bring your creativity to life.

View All Website 800-244-1173 ff@sial.com

TCI AMERICA

Moving Your Chemistry Forward

We continuously strive to advance our technology.

View All Website 1-800-423-8616 Sales-US@TCIchemicals.com;

WholeChem, LLC

Connecting Innovators To the Building Blocks Of the Universe

Custom manufacturer and distributor of specialty ingredients. We make global local.

View All Website +1 (262) 995.8668 info@wholechem.com

Potential Uses

enhancer FR floral FR moss FR orange FR orange blossom

Natural Occurrence

ambrette seed oil @ 0.10% Data cascarilla bark oil @ 0.06% Data cheese - up to 2.5 mg/kg PMC cheese bleu cheese - up to 2.5 mg/kg PMC chicken - up to 2.5 mg/kg PMC corn husk oil corn seed oil croton flavens l. (welensali) leaf oil curacao @ 0.10% Data hop oil - up to 2,600 mg/kg milk - up to 2.5 mg/kg PMC papaya mountain papaya - up to 2.5 mg/kg rue flower oil colombia @ 1.25% Data rue oil rue oil china @ 1.31% Data rue oil cuba @ 0.72% Data shrimp - up to 2.5 mg/kg PMC violet flower absolute @ % Data

Synonyms

decan-2-one ketone, methyl octyl methyl N-octyl ketone methyl octyl ketone octyl methyl ketone US Patents: 3,931,166 - Certain 2,5-dimethyl-3-thiopyrazines PubMed: Antioxidant and antimicrobial properties of the essential oil and extracts of Zanthoxylum alatum grown in north-western Himalaya. PubMed: Brushed block copolymer micelles with pH-sensitive pendant groups for controlled drug delivery. PubMed: Mass and Ion Transport in Ketones and Ketone Electrolytes: Comparison with Acetate Systems. PubMed: Synthesis and antimalarial activity study of some new Mannich bases of 7-chloro-4-aminoquinoline. PubMed: Simultaneous determination of ultraviolet filters in aqueous samples by plunger-in-needle solid-phase microextraction with graphene-based sol-gel coating as sorbent coupled with gas chromatography-mass spectrometry. PubMed: [Analyze on volatile compounds of Antrodia camphorata using HS-SPME-GC-MS]. PubMed: On-chip electro membrane extraction with online ultraviolet and mass spectrometric detection. PubMed: Isolation and characterization of 4-tert-butylphenol-utilizing Sphingobium fuliginis strains from Phragmites australis rhizosphere sediment. PubMed: Relation between developmental stage, sensory properties, and volatile content of organically and conventionally grown pac choi (Brassica rapa var. Mei Qing Choi). PubMed: Olfactory response of Haematobia irritans (Diptera: Muscidae) to cattle-derived volatile compounds. PubMed: A contact sex pheromone component of the emerald ash borer Agrilus planipennis Fairmaire (Coleoptera: Buprestidae). PubMed: Repellency property of long chain aliphatic methyl ketones against Anopheles gambiae s.s. PubMed: Chemical characterization of territorial marking fluid of male Bengal tiger, Panthera tigris. PubMed: Templation of the excited-state chemistry of alpha-(n-alkyl) dibenzyl ketones: how guest packing within a nanoscale supramolecular capsule influences photochemistry. PubMed: Kinetic analysis of volatile formation in milk subjected to pressure-assisted thermal treatments. PubMed: Nonaqueous CE using contactless conductivity detection and ionic liquids as BGEs in ACN. PubMed: Identification of components of male-produced pheromone of coffee white stemborer, Xylotrechus quadripes. PubMed: Biodegradation of phenol at low temperature using two-phase partitioning bioreactors. PubMed: Estrogenic activity of cosmetic components in reporter cell lines: parabens, UV screens, and musks. PubMed: Systemic absorption of the sunscreens benzophenone-3, octyl-methoxycinnamate, and 3-(4-methyl-benzylidene) camphor after whole-body topical application and reproductive hormone levels in humans. PubMed: Effect of UV screens and preservatives on vitellogenin and choriogenin production in male medaka (Oryzias latipes). PubMed: Influence of lipid fraction, emulsifier fraction, and mean particle diameter of oil-in-water emulsions on the release of 20 aroma compounds. PubMed: Population growth impairment of sulfur-containing compounds to Tetrahymena pyriformis. PubMed: Palladium(II)-catalyzed oxidation of aldehydes and ketones. 1. Carbonylation of ketones with carbon monoxide catalyzed by palladium(II) chloride in methanol. PubMed: Interactions between artificial saliva and 20 aroma compounds in water and oil model systems. PubMed: In vitro and in vivo estrogenicity of UV screens. PubMed: Olfactory discrimination ability for homologous series of aliphatic ketones and acetic esters. PubMed: Population growth kinetics of Tetrahymena pyriformis exposed to selected nonpolar narcotics. PubMed: Growth kinetics of preexposed and naive populations of Tetrahymena pyriformis to 2-decanone and acetone. PubMed: Anesthetic activity of monoketones in mice: relationship to hydrophobicity and in vivo effects on Na+/K+ -ATPase activity and membrane fluidity. PubMed: Permeability of commercial solvents through living human skin. PubMed: Ketone EC50 values in the Microtox test. PubMed: Sensitivity to sunscreens.