1-nonen-3-one
hexyl vinyl ketone
 
Notes:
Flavouring compound [Flavornet]
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CAS Number: 24415-26-7Picture of molecule3D/inchi
Nikkaji Web: J444.649F
MDL: MFCD00053145
XlogP3: 3.00 (est)
Molecular Weight: 140.22572000
Formula: C9 H16 O
NMR Predictor: Predict (works with chrome or firefox)
Category: flavoring agents
 
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DG SANTE Food Flavourings: 07.210  1-nonen-3-one
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.82600 to 0.83000 @  25.00 °C.
Pounds per Gallon - (est).: 6.873 to  6.906
Refractive Index: 1.43600 to 1.44200 @  20.00 °C.
Boiling Point: 198.00 to  200.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.355000 mmHg @ 25.00 °C. (est)
Flash Point: 161.00 °F. TCC ( 71.67 °C. )
logP (o/w): 2.690 (est)
Soluble in:
 water, 299.4 mg/L @ 25 °C (est)
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Organoleptic Properties:
 
Odor Type: pungent
 
Odor Strength: high ,
recommend smelling in a 1.00 % solution or less
 
 pungent  mushroom  
Odor Description:
at 1.00 % in dipropylene glycol. 
pungent mushroom
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the CSA
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Safety Information:
 
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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: flavoring agents
Recommendation for 1-nonen-3-one usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.0012 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 1600 (μg/person/day)
Threshold of Concern:540 (μg/person/day)
Structure Class: II
 
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): 3.0000010.00000
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
Chewing gum (05.0): --
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
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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):
Scientific Opinion on Flavouring Group Evaluation 205 (FGE.205): Consideration of genotoxicity data on representatives for 13 a,-unsaturated aliphatic ketones with terminal double bonds and precursors from chemical subgroup 1.2.2 of FGE.19 by EFSA
View page or View pdf
Scientific opinion of Flavouring Group Evaluation 205 Revision 1 (FGE.205Rev1): consideration of genotoxicity data on representatives for 13 a,-unsaturated aliphatic ketones with terminal double bonds and precursors from chemical subgroup 1.2.2 of FGE.19
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
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EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 181106
National Institute of Allergy and Infectious Diseases: Data
 non-1-en-3-one
Chemidplus: 0024415267
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References:
 non-1-en-3-one
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 181106
Pubchem (sid): 135160218
Flavornet: 24415-26-7
Pherobase: View
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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
HMDB (The Human Metabolome Database): Search
FooDB: FDB029669
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
aldehydic
aldehydic
isobutyraldehydeFL/FR
balsamic
(E)-benzyl tiglateFL/FR
isovaleric acidFL/FR
creamy
 butyl lactateFL/FR
earthy
 dibenzyl etherFL/FR
1-nonen-3-olFL/FR
3-octanolFL/FR
1-octen-3-oneFL/FR
fatty
(E)-2-decenalFL/FR
fermented
isoamyl alcoholFL/FR
 butyl laevo-lactateFL/FR
floral
 nonyl octanoateFL/FR
 octyl acetateFL/FR
2-phenyl propionaldehyde dimethyl acetalFL/FR
fruity
isobutyl-3-(methyl thio) butyrateFL/FR
 cherry pentenoateFL/FR
 octyl propionateFL/FR
fungal
1-decen-3-olFL/FR
 methyl 2-furoateFL/FR
green
(Z)-3-hexen-1-yl tiglateFL/FR
4-hexenolFL/FR
(Z)-leaf acetalFL/FR
 melon acetalFL/FR
2-pentenalFL/FR
 phenyl acetaldehyde dimethyl acetalFL/FR
herbal
3-heptanolFL/FR
3-octanoneFL/FR
honey
 phenethyl furoateFL/FR
minty
laevo-piperitoneFL/FR
3-octen-2-olFL/FR
(R)-1-octen-3-olFL/FR
1-octen-3-yl butyrateFL/FR
nutty
 filbert heptenoneFL/FR
phenolic
meta-cresyl acetateFL/FR
thujonic
 cistus cyclohexanoneFL/FR
waxy
 methyl laurateFL/FR
(Z)-3-nonen-1-olFL/FR
woody
beta-terpineolFL/FR
yeasty
2-octen-4-oneFL/FR
 
For Flavor
 
No flavor group found for these
 allyl alcoholFL
 butyl isothiocyanateFL
isobutyl-3-(methyl thio) butyrateFL/FR
 cistus cyclohexanoneFL/FR
S-ethyl 2-acetyl aminoethane thioateFL
 ethyl isothiocyanateFL
3-heptanolFL/FR
isomesityl oxideFL
 methyl methane thiosulfonateFL
tris(methyl thio) methaneFL
4-methyl valeric acidFL
 nonyl octanoateFL/FR
(E)-2-penten-1-olFL
2-pentenalFL/FR
2-pentyl-1-buten-3-oneFL
 phenethyl furoateFL/FR
beta-terpineolFL/FR
4-mercapto-2-pentanone 1% in acetoinFL
aldehydic
isobutyraldehydeFL/FR
alliaceous
 truffle sulfideFL
balsamic
(E)-benzyl tiglateFL/FR
buttery
 butyl laevo-lactateFL/FR
caramellic
 methyl 2-furoateFL/FR
cheesy
isovaleric acidFL/FR
dairy
 butyl lactateFL/FR
earthy
1-decen-3-olFL/FR
1-nonen-3-olFL/FR
1,8-octane dithiolFL
1-octen-3-oneFL/FR
estery
 octyl propionateFL/FR
fatty
 dimethyl sulfoxideFL
fermented
 methyl thio isovalerateFL
fruity
 cherry pentenoateFL/FR
 dibenzyl etherFL/FR
2-phenyl propionaldehyde dimethyl acetalFL/FR
fusel
isoamyl alcoholFL/FR
green
(Z)-3-hexen-1-yl tiglateFL/FR
(Z)-leaf acetalFL/FR
 melon acetalFL/FR
 phenyl acetaldehyde dimethyl acetalFL/FR
metallic
4-hexenolFL/FR
minty
laevo-piperitoneFL/FR
mushroom
 methional diethyl acetalFL
3-octanoneFL/FR
3-octen-2-olFL/FR
(R)-1-octen-3-olFL/FR
1-octen-3-yl butyrateFL/FR
musty
3-octanolFL/FR
 propionaldehydeFL
nutty
 filbert heptenoneFL/FR
phenolic
meta-cresyl acetateFL/FR
sulfurous
1-(methyl thio)-2-butanoneFL
2-naphthyl mercaptanFL
 onion oleoresinFL
2,4,6-trithiaheptane 10% in triacetinFL
sweet
 acetone alcoholFL
vegetable
2-octen-4-oneFL/FR
waxy
(E)-2-decenalFL/FR
 methyl laurateFL/FR
(Z)-3-nonen-1-olFL/FR
 octyl 2-furoateFL
 octyl acetateFL/FR
 
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Potential Uses:
 mushroomFL
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Occurrence (nature, food, other): note
 coffee
Search  PMC Picture
 ham
PbMd  Search  PMC Picture
 milk
Search  PMC Picture
 yogurt
Search  Picture
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Synonyms:
 hexyl vinyl ketone
 hexylvinyl ketone
 non-1-en-3-one
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Articles:
PubMed: Identification of impact odorants contributing to fresh mushroom off-flavor in wines: incidence of their reactivity with nitrogen compounds on the decrease of the olfactory defect.
PubMed: Aroma components of American country ham.
PubMed: Minor sesquiterpenes with new carbon skeletons from the brown alga Dictyopteris divaricata.
PubMed: Identification of metallic-smelling 1-octen-3-one and 1-nonen-3-one from solutions of ferrous sulfate.
PubMed: Norsesquiterpenes from the brown alga Dictyopteris divaricata.
PubMed: Gas chromatography-olfactometry and chemical quantitative study of the aroma of six premium quality spanish aged red wines.
PubMed: Identification of character impact odorants of different soybean lecithins.
PubMed: Quantification and sensory studies of character impact odorants of different soybean lecithins.
PubMed: Some effects of 1-(2,4-Dichlorophenyl)-4-dimethylamino-methyl-1-nonen-3-one hydrochloride on Escherichia coli GK-19.
PubMed: Synthesis and evaluation of some alkoxy-, chloro-, and acyloxy-conjugated styryl ketones against P-388 lymphocytic leukemia and an examination of the metabolism and toxicological effects of 1-(m-ethoxymethyloxyphenyl)-1-nonen-3-one in rats.
PubMed: Effect of 4-dimethylaminomethyl-1-(3-hydroxyphenyl)-1-nonen-3-one hydrochloride and related compounds on respiration in rat liver mitochondria.
PubMed: Evaluation of 1-(3,4-dichlorophenyl)-4-dimethylaminomethyl-1-nonen-3-one hydrochloride effect on nucleic acid and protein syntheses using murine leukemia L-1210 cells.
PubMed: Synthesis of oximes, aziridines, and allyl alcohols derived from substituted 1-phenyl-1-nonen-3-ones as potential cytotoxic and antitumor agents.
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