5-trans--2--4-methyl heptenone
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(E)-5-methylhept-2-en-4-one (Click)
CAS Number: 102322-83-8
FDA UNII: 8K2S58736F
Nikkaji Web: J827.772I
XlogP: 2.20 (est)
Molecular Weight: 126.19878000
Formula: C8 H14 O
NMR Predictor: Predict
Category: flavor and fragrance agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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IBM Patents: Obtain
Pubchem Patents: Search
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Physical Properties:
Appearance: colorless to pale yellow clear liquid (est)
Assay: 98.00 to 100.00 % sum of isomers
Food Chemicals Codex Listed: No
Specific Gravity: 0.84800 to 0.85800 @  25.00 °C.
Pounds per Gallon - (est).: 7.056 to  7.139
Refractive Index: 1.44100 to 1.44500 @  20.00 °C.
Boiling Point: 173.76 °C. @ 760.00 mm Hg (est)
Boiling Point: 62.00 °C. @ 10.00 mm Hg
Acid Value: 2.00 max. KOH/g
Vapor Pressure: 1.247000 mm/Hg @ 25.00 °C. (est)
Flash Point: 127.00 °F. TCC ( 52.78 °C. )
logP (o/w): 1.973 (est)
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Organoleptic Properties:
Odor Type: nutty
Odor Strength: high ,
recommend smelling in a 10.00 % solution or less
 hazelnut  nutty  
Odor Description:
at 10.00 % in dipropylene glycol. 
hazelnut nutty
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
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Santa Cruz Biotechnology
For experimental / research use only.
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
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Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 10 - Flammable.
R 38 - Irritating to skin.
S 02 - Keep out of the reach of children.
S 24 - Avoid contact with skin.
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
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
Recommendation for (E)-filbertone usage levels up to:
  0.8000 % in the fragrance concentrate.
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Safety References:
EPI System: View
Chemicalize.org: Calculate predicted properties
EPA ACToR: Toxicology Data
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 3
Chemidplus: 0102322838
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Leffingwell: chirality
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 5362588
Pubchem (sid): 135349869
Flavornet: 102322-83-8
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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
HMDB (The Human Metabolome Database): HMDB35242
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
Wikipedia: View
RSC Learn Chemistry: View
Read: Under the conditions of intended use - New developments in the FEMA GRAS program and the safety assessment of flavor ingredients
Read: A GRAS assessment program for flavor ingredients
Read: Sensory testing for flavorings with modifying properties. Food Technology
Read: Criteria for the safety evaluation of flavoring substances
Read: A procedure for the safety evaluation of natural flavor complexes used as ingredients in food: essential oils
Read: FEMA Expert Panel: 30 Years of safety evaluation for the flavor industry
Read: Consumption ratio and food predominance of flavoring materials
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Potential Blenders and core components note
 acetyl acetaldehyde dimethyl acetalFL
2-acetyl furanFL/FR
 acetyl propionylFL/FR
2-acetyl pyrazineFL/FR
3-acetyl pyridineFL/FR
2-acetyl pyrroleFL/FR
2-acetyl thiazoleFL/FR
3-acetyl-2,5-dimethyl furanFL/FR
2-acetyl-3-ethyl pyrazineFL/FR
2-acetyl-3-methyl pyrazineFL/FR
2-acetyl-3,5-dimethyl pyrazineFL/FR
2-acetyl-5-methyl furanFL/FR
 allyl 2-ethyl butyrateFL/FR
isoamyl nonanoateFL/FR
alpha-angelica lactoneFL/FR
 benzyl mercaptanFL
 bornyl isobutyrateFL/FR
 boronia butenalFR
 butyl mercaptanFL
 caramel furanoneFL
 chocolate pyrazine AFL/FR
3,5-cocoa pyrazineFL/FR
3,5(6)-cocoa pyrazineFL
3,6-cocoa pyrazineFL/FR
 coconut absoluteFL/FR
 coffee difuranFL/FR
 coffee dioneFL/FR
 coffee pyrazineFL
para-cresyl laurateFL/FR
 cyclohexyl methyl pyrazineFL
 dicyclohexyl disulfideFL
2,5-diethyl thiazoleFL
3,5-diethyl-2-methyl pyrazineFL
2,5-diethyl-3-methyl pyrazineFL
2,5-diethyl-4-methyl thiazoleFL
 difurfuryl etherFL
 difurfuryl sulfideFL
 diisoamyl thiomalateFL
 dimethyl dihydrocyclopentapyrazineFL
2,3-dimethyl pyrazineFL/FR
2,6-dimethyl pyrazineFL/FR
2,4-dimethyl thiazoleFL
2,5-dimethyl thiazoleFL
4,5-dimethyl thiazoleFL
2,5-dimethyl thiopheneFL
2,5-dimethyl-3-thiofuroyl furanFL
2,4-dimethyl-5-vinyl thiazoleFL
 ethyl 2-hydroxy-2-methyl butyrateFL/FR
 ethyl 3-(furfuryl thio) propionateFL
 ethyl methyl sulfideFL
2-ethyl pyrazineFL/FR
S-ethyl thioacetateFL
1-ethyl-2-acetyl pyrroleFL
5-ethyl-2-methyl pyridineFL
2-ethyl-4-methyl thiazoleFL/FR
(Z+E)-5-ethyl-4-methyl-2-(2-butyl) thiazolineFL
(Z+E)-5-ethyl-4-methyl-2-(2-methyl propyl) thiazolineFL
 filbert pyrazineFL/FR
 furfuryl alcoholFL
 furfuryl isopropyl sulfideFL
 furfuryl mercaptanFL/FR
 furfuryl methyl etherFL
 furfuryl propionateFL
1-furfuryl pyrroleFL/FR
 furfuryl thioacetateFL/FR
S-furfuryl thioformateFL/FR
 furfuryl thiopropionateFL
2-furyl pentyl ketoneFL
3-(2-furyl) acroleinFL
european hazelnut oleoresinFL
 hazelnut pyrazineFL/FR
2-heptyl furanFL/FR
3,4-hexane dioneFL/FR
2-hexyl-5 or 6-keto-1,4-dioxaneFL
2-methyl 3-(methyl thio) furanFL
2-methyl 5-(methyl thio) furanFL/FR
ortho-methyl anisoleFL/FR
para-methyl anisoleFL/FR
2-methyl butyraldehydeFL/FR
 methyl furfuryl disulfideFL/FR
2-methyl pyrazineFL/FR
2-methyl quinoxalineFL
5-methyl quinoxalineFL/FR
4-methyl thiazoleFL
2-methyl thio-3,5 or 6-methyl pyrazineFL/FR
2-methyl thioacetaldehydeFL
 methyl valerateFL/FR
2-methyl-3-,5 or 6-(furfuryl thio) pyrazineFL/FR
2-methyl-3-(methyl thio) pyrazineFL/FR
2-methyl-3-propyl pyrazineFL/FR
2-methyl-5-isopropyl pyrazineFL
 nutty cyclohexenoneFL/FR
 nutty quinoxalineFL/FR
 nutty thiazoleFL
 peach cyclopentanoneFR
 peanut dithiazineFL
 peanut oxazoleFL
2-propionyl thiazoleFL
 propyl benzoateFL/FR
2-isopropyl pyrazineFL
2-propyl pyridineFL
 saffron pyranoneFR
para-salicylic acidFL
 sandalwood oilFL/FR
 shoyu pyrazineFL/FR
 sulfuryl butyrateFL/FR
 sulfuryl decanoateFL/FR
 sulfuryl formateFL
 sulfuryl hexanoateFL/FR
 sulfuryl isobutyrateFL/FR
 sulfuryl octanoateFL/FR
 sulfuryl propionateFL/FR
2,3,5,6-tetramethyl pyrazineFL/FR
2-thienyl mercaptanFL
2-thiophene thiolFL
 tonka bean absoluteFR
 tonka bean resinoidFR
2,3,5-trimethyl pyrazineFL/FR
2,4,5-trimethyl thiazoleFL/FR
 valeraldehyde dibutyl acetalFL/FR
 valeraldehyde propylene glycol acetalFL/FR
2-vinyl pyrazineFL
 vinyl sulfurolFL/FR
 whiskey lactoneFL/FR
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Potential Uses:
 chocolate cocoa 
 nut hazelnutFR
 nut macadamiaFL
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Natural Occurrence in: note
GRIN Trop Picture
 pumpkin seed
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 hept-2-en-4-one, (E)-5-methyl-
2-hepten-4-one, 5-methyl-, (2E)-
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click on the picture(s) below to
interact with the 3D model
Picture of molecule
Soluble in:
 water, slightly
 water, 1208 mg/L @ 25 °C (est)
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