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

alpha,alpha-dimethyl anisyl acetone
homoethone

Supplier Sponsors

Name:1-(4-methoxyphenyl)-4-methylpent-1-en-3-one
CAS Number: 103-13-9Picture of molecule3D/inchi
MDL:MFCD00026446
CoE Number:719
XlogP3-AA:3.00 (est)
Molecular Weight:204.26892000
Formula:C13 H16 O2
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
Name:(E)-1-(4-methoxyphenyl)-4-methylpent-1-en-3-one
CAS Number: 103-13-9 (E)Picture of molecule3D/inchi
XlogP3-AA:3.00 (est)
Molecular Weight:204.26892000
Formula:C13 H16 O2
NMR Predictor:Predict (works with chrome or firefox)
Name:(Z)-1-(4-methoxyphenyl)-4-methylpent-1-en-3-one
CAS Number: 103-13-9 (Z)Picture of molecule3D/inchi
XlogP3-AA:3.00 (est)
Molecular Weight:204.26892000
Formula:C13 H16 O2
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:829 1-(4-methoxyphenyl)-4-methyl-1-penten-3-one
DG SANTE Food Flavourings:07.049 1-(4-methoxyphenyl)-4-methylpent-1-en-3-one
FEMA Number:3760 homoethone
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):103-13-9 ; 1-(4-METHOXYPHENYL)-4-METHYL-1-PENTEN-3-ONE
FDA Regulation:
FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION
Subpart F--Flavoring Agents and Related Substances
Sec. 172.515 Synthetic flavoring substances and adjuvants.
 
Physical Properties:
Appearance:colorless clear oily liquid (est)
Assay: 97.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.01600 to 1.02600 @ 25.00 °C.
Pounds per Gallon - (est).: 8.454 to 8.537
Refractive Index:1.51000 to 1.51500 @ 20.00 °C.
Melting Point: 28.00 °C. @ 760.00 mm Hg
Boiling Point: 217.00 to 219.00 °C. @ 40.00 mm Hg
Boiling Point: 201.00 °C. @ 10.00 mm Hg
Vapor Pressure:0.000080 mmHg @ 25.00 °C. (est)
Flash Point: 302.00 °F. TCC ( 150.00 °C. )
logP (o/w): 3.011 (est)
Soluble in:
 alcohol
 water, very slightly
 water, 108.1 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: caramellic
Odor Strength:low ,
recommend smelling in a 10.00 % solution or less
caramellic fruity buttery
Odor Description:at 10.00 % in dipropylene glycol. caramel fruity buttery
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Axsyn
For experimental / research use only.
1-Penten-3-one,1-(4-methoxyphenyl)-4-methyl-
BOC Sciences
For experimental / research use only.
1-p-Methoxyphenyl-1-penten-3-one
Parchem
alpha,alpha-dimethyl anisyl acetone
Sigma-Aldrich: Aldrich
For experimental / research use only.
1-(4-Methoxyphenyl)-4-methyl-1-penten-3-one
 
Safety Information:
Preferred SDS: View
 
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
 
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 alpha,alpha-dimethyl anisyl acetone usage levels up to:
  0.2000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.30 (μg/capita/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: 15
Click here to view publication 15
 average usual ppmaverage maximum ppm
baked goods: -10.00000
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
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): 3.76000-
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 0.10000-
Edible ices, including sherbet and sorbet (03.0): 0.55000-
Processed fruit (04.1): --
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 6.06500-
Chewing gum (05.3): --
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 30.00000-
Bakery wares (07.0): 4.12500-
Meat and meat products, including poultry and game (08.0): 6.88500-
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 10.00000-
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 0.40000-
Foodstuffs intended for particular nutritional uses (13.0): --
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 1.48500-
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 1.00000-
Ready-to-eat savouries (15.0): --
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): --
 
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 215 (FGE.215): Seven a,-Unsaturated Cinnamyl Ketones from subgroup 3.2 of FGE.19
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 215 Revision 1 (FGE.215Rev1): seven a,-unsaturated cinnamyl ketones from subgroup 3.2 of FGE.19
View page or View pdf

EPI System: View
EPA Substance Registry Services (TSCA):103-13-9
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :61003
National Institute of Allergy and Infectious Diseases:Data
1-(4-methoxyphenyl)-4-methylpent-1-en-3-one
Chemidplus:0000103139
(E)-1-(4-methoxyphenyl)-4-methylpent-1-en-3-one
(Z)-1-(4-methoxyphenyl)-4-methylpent-1-en-3-one
 
References:
 1-(4-methoxyphenyl)-4-methylpent-1-en-3-one
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:103-13-9
Pubchem (cid):61003
Pubchem (sid):505419
 (E)-1-(4-methoxyphenyl)-4-methylpent-1-en-3-one
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:103-13-9
Pubchem (cid):5373780
Pubchem (sid):10426697
 (Z)-1-(4-methoxyphenyl)-4-methylpent-1-en-3-one
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:103-13-9
Pubchem (cid):6435821
Pubchem (sid):197224
 
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):Search
ChemSpider:View
 
Potential Blenders and core components note
For Odor
acidic
cyclohexyl acetic acid
FL/FR
balsamic
2-
acetyl furan
FL/FR
cinnamyl benzoate
FL/FR
bready
coffee furanone
FL/FR
buttery
acetoin
FL/FR
acetyl isobutyryl
FL/FR
acetyl propionyl
FL/FR
iso
butyl lactate
FL/FR
butyl octanoate
FL/FR
2,3-
heptane dione
FL/FR
3,4-
hexane dione
FL/FR
caramellic
2-oxo
butyric acid
FL/FR
caramel pentadione
FL/FR
cyclotene
FL/FR
cyclotene hydrate
FL/FR
ethyl 2-hydroxy-2-methyl butyrate
FL/FR
ethyl cyclopentenolone
FL/FR
ethyl maltol
FL/FR
5-
ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-one
FL/FR
fenugreek absolute
FL/FR
geranyl crotonate
FR
immortelle absolute
FL/FR
levulinic acid
FL/FR
maltol
FL/FR
maltyl propionate
FL/FR
maple furanone
FL/FR
menthone lactone
FL/FR
mesitene lactone
FR
5-
methyl furfural
FL/FR
rosefuran
FL/FR
shoyu furanone
FL/FR
strawberry furanone
FL/FR
strawberry furanone acetate
FL/FR
toffee furanone
FL/FR
coconut
gamma-
heptalactone
FL/FR
gamma-
nonalactone (aldehyde C-18 (so-called))
FL/FR
coumarinic
tonka bean resinoid
FR
creamy
2,3-
butane diol
FR
gamma-
butyrolactone
FL/FR
ethereal
ethyl 4-pentenoate
FL/FR
ethyl pyruvate
FL/FR
iso
valeraldehyde propylene glycol acetal
FL/FR
fatty
butyl undecylenate
FL/FR
fermented
ethyl (E)-2-crotonate
FL/FR
floral
benzyl lactate
FL/FR
jasmin pyranone
FL/FR
linalyl butyrate
FL/FR
fruity
acetoin acetate
FL/FR
1-
acetoxyacetone
FL/FR
gamma-
decalactone
FL/FR
ethyl lactate
FL/FR
(E)-
ethyl tiglate
FL/FR
prenyl isobutyrate
FL/FR
tetrahydrofurfuryl acetate
FL/FR
green
iso
amyl 3-(2-furan) propionate
FL/FR
(Z)-3-
hexen-1-yl butyrate
FL/FR
herbal
butyl levulinate
FL/FR
musty
3-
acetyl-2,5-dimethyl furan
FL/FR
nutty
2-
acetyl-3,5(or 6)-dimethyl pyrazine
FL/FR
2,3-
dimethyl pyrazine
FL/FR
2-
ethyl pyrazine
FL/FR
nutty cyclohexenone
FL/FR
phenolic
4-
methyl-2,6-dimethoxyphenol
FL/FR
soapy
ethyl undecanoate
FL/FR
spicy
(E)-
propyl 2-furan acrylate
FL/FR
(E)-
tiglic acid
FL/FR
sweet
vanilla oleoresin bali
FL/FR
tonka
tonka bean absolute
FR
tropical
delta-
dodecalactone
FL/FR
vanilla
ethyl vanillin
FL/FR
vanilla oleoresin bourbon
FL/FR
vanillyl isobutyrate
FL/FR
vegetable
tetrahydrofurfuryl alcohol
FL/FR
For Flavor
No flavor group found for these
1-
acetoxyacetone
FL/FR
4-
acetyl-2,5-dimethyl-3(2H)-furanone
FL
2-
acetyl-3,4,5,6-tetrahydropyridine
FL
allyl 2-furoate
FL
benzyl disulfide
FL
benzyl lactate
FL/FR
butyl octanoate
FL/FR
cinnamyl benzoate
FL/FR
6-
decenoic acid
FL
2,5-
diethyl tetrahydrofuran
FL
ethyl 2-hydroxy-2-methyl butyrate
FL/FR
ethyl 4-pentenoate
FL/FR
ethyl butyryl lactate
FL
5-
ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-one
FL/FR
furfuryl acetone
FL
menthone lactone
FL/FR
3-(
methyl thio) hexanal
FL
prenyl isobutyrate
FL/FR
rosefuran
FL/FR
sodium 4-methyl-2-oxovalerate
FL
strawberry furanone ethyl ether
FL
iso
amyl 3-(2-furan) propionate
FL/FR
acidic
acidic
levulinic acid
FL/FR
dextro,laevo-
tartaric acid
FL
alliaceous
3-
tetrahydrothiophenone
FL
bready
mango furanone
FL
brown
2-oxo
butyric acid
FL/FR
5-
methyl furfural
FL/FR
tetrahydrofurfuryl acetate
FL/FR
(E)-
tiglic acid
FL/FR
burnt
furfuryl alcohol
FL
buttery
iso
butyl lactate
FL/FR
butyroin
FL
diacetyl
FL
2,3-
heptane dione
FL/FR
3,4-
hexane dione
FL/FR
(E)-2-
pentenoic acid
FL
caramellic
caramel furanone
FL
caramel pentadione
FL/FR
cyclotene
FL/FR
cyclotene hydrate
FL/FR
ethyl maltol
FL/FR
5-
ethyl-3,4,5,6-tetramethyl cyclohexen-2-one
FL
fenugreek absolute
FL/FR
maltol
FL/FR
maltyl propionate
FL/FR
maple furanone
FL/FR
3-
methyl butyl 2-furyl butyrate
FL
shoyu furanone
FL/FR
strawberry furanone
FL/FR
strawberry furanone acetate
FL/FR
toffee furanone
FL/FR
coconut
gamma-
nonalactone (aldehyde C-18 (so-called))
FL/FR
coffee
2-
thiophene thiol
FL
creamy
acetoin
FL/FR
acetyl isobutyryl
FL/FR
delta-
dodecalactone
FL/FR
jasmin pyranone
FL/FR
fatty
diacetyl trimer
FL
2,4-
undecadienal
FL
(E,E)-2,4-
undecadienal
FL
floral
linalyl butyrate
FL/FR
fruity
acetoin acetate
FL/FR
gamma-
decalactone
FL/FR
ethyl lactate
FL/FR
(E)-
ethyl tiglate
FL/FR
furfuryl valerate
FL
2-
pentanoyl furan
FL
(E)-
propyl 2-furan acrylate
FL/FR
iso
valeraldehyde propylene glycol acetal
FL/FR
green
2-
furyl acetone
FL
(Z)-3-
hexen-1-yl butyrate
FL/FR
immortelle absolute
FL/FR
herbal
butyl levulinate
FL/FR
5-
hydroxymethyl furfural
FL
jammy
ethyl cyclopentenolone
FL/FR
lactonic
gamma-
heptalactone
FL/FR
milky
gamma-
butyrolactone
FL/FR
musty
ethyl (E)-2-crotonate
FL/FR
nutty
2-
acetyl furan
FL/FR
3-
acetyl-2,5-dimethyl furan
FL/FR
2-
acetyl-3,5(or 6)-dimethyl pyrazine
FL/FR
coffee furanone
FL/FR
2,3-
dimethyl pyrazine
FL/FR
2-
ethyl pyrazine
FL/FR
nutty cyclohexenone
FL/FR
peanut oxazole
FL
tetrahydrofurfuryl alcohol
FL/FR
phenolic
4-
methyl-2,6-dimethoxyphenol
FL/FR
rummy
ethyl pyruvate
FL/FR
sweet
caramel dione
FL
cyclohexyl acetic acid
FL/FR
dextro-
sorbitol
FL
vanilla oleoresin bali
FL/FR
toasted
acetyl propionyl
FL/FR
vanilla
ethyl vanillin
FL/FR
vanilla oleoresin bourbon
FL/FR
vanillyl isobutyrate
FL/FR
waxy
butyl undecylenate
FL/FR
ethyl undecanoate
FL/FR
furfuryl octanoate
FL
 
Potential Uses:
FRbutter
FRbutterscotch
FLcaramel
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
homoethone
1-(4-methoxyphenyl)-4-methyl-1-penten-3-one
1-(p-methoxyphenyl)-4-methyl-1-penten-3-one
1-(para-methoxyphenyl)-4-methyl-1-penten-3-one
1-(4-methoxyphenyl)-4-methylpent-1-en-3-one
p-methoxystyryl isopropyl ketone
para-methoxystyryl isopropyl ketone
1-penten-3-one, 1-(4-methoxyphenyl)-4-methyl-
isopropyl 4-methoxystyryl ketone
isopropyl p-methoxystyryl ketone
 

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