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

2-decanone
methyl octyl ketone

Supplier Sponsors

Name:decan-2-one
CAS Number: 693-54-9Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:211-752-6
FDA UNII:GX543OLT0R
Nikkaji Web:J79.790A
Beilstein Number:1747463
MDL:MFCD00009571
CoE Number:11055
XlogP3:3.70 (est)
Molecular Weight:156.26860000
Formula:C10 H20 O
BioActivity Summary:listing
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
JECFA Food Flavoring:2074 2-decanone
FLAVIS Number:07.150 (Old)
DG SANTE Food Flavourings:07.150 decan-2-one
FEMA Number:4271 2-decanone
FDA:No 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
 water, 76.8 mg/L @ 25 °C (exp)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: floral
Odor Strength:medium
Substantivity: > 8 hour(s) at 100.00 %
orange floral fatty peach
Odor Description:at 100.00 %. orange floral fatty peach
Flavor Type: fermented
fermented cheesy
Taste Description: fermented cheesy
Odor and/or flavor descriptions from others (if found).
Bedoukian Research
METHYL OCTYL KETONE ≥99.0%, Kosher
Odor Description:orange-like floral
For a mild, orange blossom odor in delicate fragrances.
Taste Description:Fermented, generic cheese notes
Adds ketonic notes for cheese. Also useful for fermented notes in fruits, especially apple, pear, and skin notes of bananas.
 
Cosmetic Information:
None found
 
Suppliers:
Bedoukian Research
METHYL OCTYL KETONE
≥99.0%, Kosher
Odor: orange-like floral
Use: For a mild, orange blossom odor in delicate fragrances.
Flavor: Fermented, generic cheese notes
Adds ketonic notes for cheese. Also useful for fermented notes in fruits, especially apple, pear, and skin notes of bananas.
BOC Sciences
For experimental / research use only.
METHYL OCTYL KETONE 99.0%
EMD Millipore
For experimental / research use only.
2-Decanone
Inoue Perfumery
METHYL OCTYL KETONE
Nagar Haveli Perfumes & Aromatics
Methyl Octyl Ketone
Natural
Odor: Orange floral fatty peach
Penta International
2-DECANONE
Santa Cruz Biotechnology
For experimental / research use only.
2-Decanone
Sigma-Aldrich
2-Decanone, ≥98%
Certified Food Grade Products
TCI AMERICA
For experimental / research use only.
2-Decanone >99.0%(GC)
WholeChem
2-Decanone
 
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 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:
oral-mouse LD50 [sex: M] 7936 mg/kg
(Tanii et al., 1986)

oral-mouse LD50 7936 mg/kg
Toxicology Letters. Vol. 30, Pg. 13, 1986.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for 2-decanone usage levels up to:
  2.0000 % 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 Concern:540 (μg/person/day)
Structure Class: II
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: 23
 average usual ppmaverage maximum ppm
baked goods: 5.0000025.00000
beverages(nonalcoholic): 2.0000010.00000
beverages(alcoholic): --
breakfast cereal: 2.0000010.00000
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: 4.0000020.00000
egg products: --
fats / oils: 2.0000010.00000
fish products: 1.000005.00000
frozen dairy: 3.0000015.00000
fruit ices: 3.0000015.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: 1.000005.00000
milk products: 3.0000015.00000
nut products: --
other grains: --
poultry: --
processed fruits: 2.0000010.00000
processed vegetables: 2.0000010.00000
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: 2.0000010.00000
sugar substitutes: --
sweet sauces: --
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 3.0000015.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 2.0000010.00000
Edible ices, including sherbet and sorbet (03.0): 3.0000015.00000
Processed fruit (04.1): 2.0000010.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 4.0000020.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 2.0000010.00000
Bakery wares (07.0): 5.0000025.00000
Meat and meat products, including poultry and game (08.0): 1.000005.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 1.000005.00000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 2.0000010.00000
Foodstuffs intended for particular nutritional uses (13.0): 3.0000015.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 2.0000010.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 4.0000020.00000
Ready-to-eat savouries (15.0): 5.0000025.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 2.0000010.00000
 
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):

Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 7 (FGE.07): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5
View page or View pdf

Flavouring Group Evaluation 63 (FGE.63): Consideration of aliphatic secondary alcohols, ketones and related esters evaluated by JECFA (59th meeting) structurally related to saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids evaluated by EFSA in FGE.07 (2005) (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf

Flavouring Group Evaluation 7, Revision 1 (FGE.07Rev1): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Scientific opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) on a request from the Commission
View page or View pdf

Flavouring Group Evaluation 7, Revision 2 (FGE.07Rev2) : Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5
View page or View pdf

Flavouring Group Evaluation 7, Revision 3 (FGE.07Rev3): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 7, Revision 4 (FGE.07Rev4): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5
View page or View pdf

Safety and efficacy of saturated and unsaturated aliphatic secondary alcohols, ketones and esters with esters containing secondary alcohols belonging to chemical group 5 when used as flavourings for all animal species
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 7, Revision 5 (FGE.07Rev5): saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5
View page or View pdf

EPI System: View
Env. Mutagen Info. Center:Search
EPA Substance Registry Services (TSCA):693-54-9
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :12741
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
decan-2-one
Chemidplus:0000693549
RTECS:HE0725000 for cas# 693-54-9
 
References:
 decan-2-one
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:693-54-9
Pubchem (cid):12741
Pubchem (sid):134976257
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
FDA Substances Added to Food (formerly EAFUS):View
CHEBI:View
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB31409
FooDB:FDB003484
Export Tariff Code:2914.19.0000
Haz-Map:View
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
FAO:2-Decanone
 
Potential Blenders and core components note
For Odor
aldehydic
intreleven aldehyde (IFF)
FR
citrus
curacao specialty
FR
2-
dodecanone
FL/FR
mandarin oil italy
FL/FR
fatty
decanol
FL/FR
iso
octanol
FR
floral
acetyl tetralin
FR
3-
decanol
FL/FR
(Z)-4-
decen-1-yl acetate
FL/FR
pink
frangipani absolute
FR
heliotropin
FL/FR
leerall / methyl anthranilate schiff's base
FR
alpha-
naphthyl methyl ketone
FL/FR
nonanal / methyl anthranilate schiff's base
FR
ocean propanal / methyl anthranilate schiff's base
FR
bitter
orangeflower absolute morocco
FL/FR
petitgrain bigarade oil
FL/FR
petitgrain oil replacer
FR
propyl anthranilate
FL/FR
surfleurs d'oranger oil
FL/FR
fruity
(S)-delta-
decalactone
FL/FR
green
nerol oxide
FL/FR
naphthyl
beta-
naphthyl ethyl ether
FL/FR
beta-
naphthyl methyl ether
FL/FR
peach
ethyl 5-hydroxydecanoate
FL/FR
(R)-gamma-
undecalactone
FL/FR
vanilla
vanillin
FL/FR
waxy
3-
decanone
FL/FR
For Flavor
No flavor group found for these
(S)-delta-
decalactone
FL/FR
3-
decanol
FL/FR
3-
decanone
FL/FR
(Z)-4-
decen-1-yl acetate
FL/FR
ethyl 5-hydroxydecanoate
FL/FR
alpha-
naphthyl methyl ketone
FL/FR
propyl anthranilate
FL/FR
surfleurs d'oranger oil
FL/FR
(R)-gamma-
undecalactone
FL/FR
cherry
cherry
heliotropin
FL/FR
citrus
mandarin oil italy
FL/FR
petitgrain bigarade oil
FL/FR
fatty
(E,E)-2,4-
dodecadienal
FL
2-
dodecanone
FL/FR
floral
bitter
orangeflower absolute morocco
FL/FR
green
nerol oxide
FL/FR
naphthyl
beta-
naphthyl methyl ether
FL/FR
powdery
beta-
naphthyl ethyl ether
FL/FR
vanilla
vanillin
FL/FR
waxy
decanol
FL/FR
 
Potential Uses:
 enhancer
FRfloral
FRmoss
FRorange
FRorange blossom
 
Occurrence (nature, food, other):note
 ambrette seed oil @ 0.10%
Data GC Search Trop Picture
 cascarilla bark oil @ 0.06%
Data GC Search Trop Picture
 cheese - up to 2.5 mg/kg
Search PMC Picture
 cheese bleu cheese - up to 2.5 mg/kg
Search PMC Picture
 chicken - up to 2.5 mg/kg
Search PMC Picture
 corn husk oil
Search Trop Picture
 corn seed oil
Search Trop Picture
 croton flavens l. (welensali) leaf oil curacao @ 0.10%
Data GC Search Trop Picture
 hop oil - up to 2,600 mg/kg
Search Trop Picture
 milk - up to 2.5 mg/kg
Search PMC Picture
 papaya mountain papaya - up to 2.5 mg/kg
Search Trop Picture
 rue flower oil colombia @ 1.25%
Data GC Search Trop Picture
 rue oil
Search Trop Picture
 rue oil china @ 1.31%
Data GC Search Trop Picture
 rue oil cuba @ 0.72%
Data GC Search Trop Picture
 shrimp - up to 2.5 mg/kg
Search PMC Picture
 violet flower absolute @ %
Data GC Search Trop Picture
 
Synonyms:
 decan-2-one
 ketone, methyl octyl
 methyl N-octyl ketone
 methyl octyl ketone
 octyl methyl ketone
 

Articles:

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.
 
Notes:
oakmoss enhancer. Constit. of essential oil of rue (Ruta graveolens)
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