solanone
(+/-)-[R-(E)]-5-isopropyl-8-methylnona-6,8-dien-2-one
 
Notes:
Used as a food additive [EAFUS]
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CAS Number: 2278-53-7Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 218-907-7
FDA UNII: F5Y0JW6609
Nikkaji Web: J152.066K
XlogP3-AA: 3.70 (est)
Molecular Weight: 194.31754000
Formula: C13 H22 O
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
JECFA Food Flavoring: 1840  (+/-) [R-(E)]-5-isopropyl-8-methylnona-6,8-dien-2-one
DG SANTE Food Flavourings: 07.239  (+/-)-[R-(E)]-5-isopropyl-8-methylnona-6,8-dien-2-one
FEMA Number: 4331 (+/-)-[R-(E)]-5-isopropyl-8-methylnona-6,8-dien-2-one
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):2278-53-7 ; (+/-)-[R-(E)]-5-ISOPROPYL-8-METHYLNONA-6,8-DIEN-2-ONE
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Physical Properties:
Appearance: pale yellow to yellow clear liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.84600 to 0.85200 @  25.00 °C.
Pounds per Gallon - (est).: 7.040 to  7.089
Refractive Index: 1.47100 to 1.47700 @  20.00 °C.
Boiling Point: 238.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.007000 mmHg @ 25.00 °C. (est)
Flash Point: 205.00 °F. TCC ( 96.11 °C. )
logP (o/w): 3.887 (est)
Soluble in:
 alcohol
 water, 11.33 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: fruity
 
 fruity  tobacco  melon  
Odor Description:
at 100.00 %. 
fruity tobacco melon
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
Axsyn
For experimental / research use only.
6,8-Nonadien-2-one,8-methyl-5-(1-methylethyl)-, [R-(E)]- (9CI)
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: flavor and fragrance agents
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for solanone usage levels up to:
  0.0200 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.24 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 1600 (μg/person/day)
Threshold of Concern:1800 (μg/person/day)
Structure Class: I
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
Click here to view publication 23
 average usual ppmaverage maximum ppm
baked goods: 0.100000.50000
beverages(nonalcoholic): 1.000005.00000
beverages(alcoholic): 1.000005.00000
breakfast cereal: --
cheese: 0.010000.05000
chewing gum: --
condiments / relishes: 0.010000.05000
confectionery froastings: 1.000005.00000
egg products: --
fats / oils: --
fish products: 0.010000.05000
frozen dairy: 0.010000.05000
fruit ices: 0.100000.50000
gelatins / puddings: 0.010000.05000
granulated sugar: --
gravies: 0.010000.05000
hard candy: --
imitation dairy: 0.010000.05000
instant coffee / tea: --
jams / jellies: --
meat products: 0.010000.05000
milk products: 0.010000.05000
nut products: --
other grains: --
poultry: 0.010000.05000
processed fruits: 0.010000.05000
processed vegetables: 0.010000.05000
reconstituted vegetables: --
seasonings / flavors: 0.010000.05000
snack foods: 0.010000.05000
soft candy: --
soups: 0.010000.05000
sugar substitutes: --
sweet sauces: 0.010000.05000
 
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
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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):
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
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
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 16058296
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 3
 (5R,6E)-8-methyl-5-propan-2-ylnona-6,8-dien-2-one
Chemidplus: 0002278537
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References:
 (5R,6E)-8-methyl-5-propan-2-ylnona-6,8-dien-2-one
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 2278-53-7
Pubchem (cid): 16058296
Pubchem (sid): 135059209
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
FDA Substances Added to Food (formerly EAFUS): View
HMDB (The Human Metabolome Database): HMDB32355
FooDB: FDB009655
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
Wikipedia: View
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Potential Blenders and core components note
 
For Odor
caramellic
caramellic
 immortelle absoluteFL/FR
citrus
2,4-dimethyl-3-cyclohexene-1-methanyl acetateFR
earthy
3-octanolFL/FR
fatty
2,4-decadien-1-olFL/FR
(E,Z)-2,6-dodecadienalFL/FR
(Z)-3-octen-1-olFL/FR
fermented
 propyl nonanoateFL/FR
floral
 methoxycitronellalFR
 methoxymelonalFL/FR
 muguet carbaldehydeFR
fruity
alpha-amyl cinnamyl isovalerateFL/FR
 butyl isobutyrateFL/FR
 diethyl sebacateFL/FR
 methyl 3-nonenoateFL/FR
(Z)-3-octen-1-yl propionateFL/FR
 propyl 2,4-decadienoateFL/FR
 propyl isobutyrateFL/FR
 taraxacum officinale leaf tincture 
 tropical indeneFR
green
 green heptenalFR
(Z)-3-hepten-1-olFL/FR
(Z)-3-hexen-1-yl (Z)-3-hexenoateFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl lactateFL/FR
(Z)-3-hexen-1-yl phenyl acetateFL/FR
(Z)-3-hexen-1-yl pyruvateFL/FR
3-hexenalFL/FR
 manzanate (Givaudan)FL/FR
 melon acetalFL/FR
 melon nonenoateFL/FR
 methyl octine carbonateFL/FR
(E,Z)-3,6-nonadien-1-olFL/FR
(Z,Z)-3,6-nonadien-1-olFL/FR
(E,Z)-3,6-nonadien-1-yl acetateFL/FR
3,6-nonadien-1-yl acetateFL/FR
(Z)-2-nonen-1-olFL/FR
(E)-2-nonen-1-olFL/FR
(Z)-5-octen-1-olFL/FR
(Z)-5-octen-1-yl propionateFL/FR
hay
para-methyl phenoxyacetaldehydeFR
melon
 melon carboxaldehydeFR
 melon heptenalFL/FR
(Z)-6-nonen-1-olFL/FR
(Z)-6-nonen-1-yl acetateFL/FR
(Z)-6-nonenalFL/FR
 watermelon ketoneFR
mushroom
3-octen-2-olFL/FR
phenolic
2'-hydroxyacetophenoneFL/FR
spicy
 cinnamyl isovalerateFL/FR
tropical
 hexyl 2-methyl-3-pentenoateFL/FR
waxy
2,4-nonadien-1-olFL/FR
(Z)-3-nonen-1-olFL/FR
 
For Flavor
 
No flavor group found for these
 costus root absoluteFL
 costus root resinoidFL
(Z)-3-hepten-1-olFL/FR
 propyl nonanoateFL/FR
 taraxacum officinale leaf extractFL
 taraxacum officinale leaf tincture 
cooling
 manzanate (Givaudan)FL/FR
fatty
2,4-decadien-1-olFL/FR
(E,E)-2,4-decadienalFL
2,4-nonadien-1-olFL/FR
(Z)-2-nonen-1-olFL/FR
(Z)-3-octen-1-olFL/FR
fruity
alpha-amyl cinnamyl isovalerateFL/FR
 butyl isobutyrateFL/FR
 cinnamyl isovalerateFL/FR
 diethyl sebacateFL/FR
 hexyl 2-methyl-3-pentenoateFL/FR
 methoxymelonalFL/FR
 methyl (E)-3-nonenoateFL
 methyl 3-nonenoateFL/FR
(Z)-3-octen-1-yl propionateFL/FR
 propyl isobutyrateFL/FR
green
(E,Z)-2,6-dodecadienalFL/FR
(Z)-3-hexen-1-yl (Z)-3-hexenoateFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl lactateFL/FR
(Z)-3-hexen-1-yl phenyl acetateFL/FR
(Z)-3-hexen-1-yl pyruvateFL/FR
3-hexenalFL/FR
 immortelle absoluteFL/FR
 melon acetalFL/FR
 melon heptenalFL/FR
 melon nonenoateFL/FR
 methyl octine carbonateFL/FR
(E,Z)-3,6-nonadien-1-olFL/FR
3,6-nonadien-1-yl acetateFL/FR
(E,Z)-3,6-nonadien-1-yl acetateFL/FR
(E,E)-2,6-nonadienalFL
(E)-2-nonen-1-olFL/FR
(Z)-6-nonen-1-yl acetateFL/FR
(Z)-6-nonenalFL/FR
(E,E)-2,4-octadienalFL
(Z)-5-octen-1-olFL/FR
(Z)-5-octen-1-yl propionateFL/FR
melon
 propyl 2,4-decadienoateFL/FR
mushroom
3-octen-2-olFL/FR
musty
3-octanolFL/FR
naphthyl
2'-hydroxyacetophenoneFL/FR
orris
 costus root oilFL
sulfurous
1-methyl thio-2-propanoneFL
waxy
(Z,Z)-3,6-nonadien-1-olFL/FR
(Z)-6-nonen-1-olFL/FR
(Z)-3-nonen-1-olFL/FR
 
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Potential Uses:
 melonFR
 tobaccoFR
 tropicalFL
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Occurrence (nature, food, other): note
 tobacco
Search Trop  Picture
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Synonyms:
(theta-(E))-8-methyl-5-(1-methyl ethyl)-6,8-nonadien-2-one
(theta-(E))-8-methyl-5-(1-methylethyl)-6,8-nonadien-2-one
(5R,6E)-8-methyl-5-propan-2-ylnona-6,8-dien-2-one
6,8-nonadien-2-one, 8-methyl-5-(1-methylethyl)-, (5R,6E)-
6,8-nonadien-2-one, 8-methyl-5-(1-methylethyl)-, (theta-(E))-
(R-(E))-5-isopropyl-8-methyl nona-6,8-dien-2-one
(+/-) [R-(E)]-5-isopropyl-8-methylnona-6,8-dien-2-one
(+/-)-[R-(E)]-5-isopropyl-8-methylnona-6,8-dien-2-one
(R-(E))-5-isopropyl-8-methylnona-6,8-dien-2-one
 virginione
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Articles:
Google Patents: Process for producing solanone, norsolanadione and intermediates therefor
US Patents: 3,992,457 - Flavoring and perfuming ingredients
PubMed: Identification of the major sex pheromone component of the scale insect, Aulacaspis murrayae Takahashi.
US Patents: Process for producing solanone, norsolanadione and intermediates therefor
PubMed: [Elimination of volatile compounds of leaf tobacco from air emissions using biofiltration].
PubMed: A chemical study of burley tobacco flavour (Nicotiana tabacum L.) VI. Identification and synthesis of four irregular terpenoids related to solanone, including a 'prenylsolanone'.
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