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

spicy pentanone
4-methyl-1-phenyl-2-pentanone

Supplier Sponsors

Name:4-methyl-1-phenylpentan-2-one
CAS Number: 5349-62-2Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:226-316-0
FDA UNII:2Z1A62342T
Nikkaji Web:J217.917B
MDL:MFCD00015639
CoE Number:159
XlogP3:2.70 (est)
Molecular Weight:176.25872000
Formula:C12 H16 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
JECFA Food Flavoring:828 4-methyl-1-phenyl-2-pentanone
FLAVIS Number:07.025 (Old)
DG SANTE Food Flavourings:07.025 4-methyl-1-phenylpentan-2-one
FEMA Number:2740 4-methyl-1-phenyl-2-pentanone
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: 4-METHYL-1-PHENYL-2-PENTANONE
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: 98.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.94000 to 0.94900 @ 25.00 °C.
Pounds per Gallon - (est).: 7.822 to 7.897
Refractive Index:1.50000 to 1.51000 @ 20.00 °C.
Boiling Point: 250.00 to 251.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.020000 mm/Hg @ 25.00 °C. (est)
Flash Point: 221.00 °F. TCC ( 105.00 °C. )
logP (o/w): 3.142 (est)
Soluble in:
 alcohol
 dipropylene glycol
 water, very slightly
 water, 202.2 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: woody
Odor Strength:medium
sweet woody fruity spicy sugar burnt sugar
Odor Description:at 100.00 %. sweet woody fruity spice burnt sugar
Flavor Type: fruity
sweet fruity spicy
Taste Description: sweet fruity spicy
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Beijing Lys Chemicals
4-Methyl-1-phenyl-2-pentanone
BOC Sciences
For experimental / research use only.
4-Methyl-1-phenylpentan-2-one
DeLong Chemicals America
4-Methyl-1-phenyl-2-pentanone, Kosher
M&U International
4-METHYL-1-PHENYL-2-PENTANONE, Kosher
Penta International
BENZYL ISOBUTYL KETONE, Kosher
Sigma-Aldrich
4-Methyl-1-phenyl-2-pentanone, ≥95%, FG
Odor: spicy; woody; sweet
Certified Food Grade Products
 
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
Recommendation for spicy pentanone usage levels up to:
  2.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 8.50 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.30 (μg/capita/day)
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: 3
 average usual ppmaverage maximum ppm
baked goods: -5.00000
beverages(nonalcoholic): -1.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -5.00000
fruit ices: -5.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: 0.060005.00000
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: --
 
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 16 (FGE.16): Aromatic ketones from chemical group 21 (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf

Flavouring Group Evaluation 16, Revision 1 (FGE.16Rev1)[1]: Aromatic ketones from chemical group 21- Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food
View page or View pdf

Flavouring Group Evaluation 69, (FGE.69)[1] - Consideration of aromatic substituted secondary alcohols, ketones and related esters evaluated by JECFA (57th meeting) structurally related to aromatic ketones from chemical group 21 evaluated by EFSA in FGE.16 (2006) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food
View page or View pdf

Flavouring Group Evaluation 16, Revision 2 (FGE.16Rev2): Aromatic ketones from chemical group 21
View page or View pdf

EPI System: View
EPA Substance Registry Services (TSCA):5349-62-2
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :219672
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
4-methyl-1-phenylpentan-2-one
Chemidplus:0005349622
 
References:
 4-methyl-1-phenylpentan-2-one
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:5349-62-2
Pubchem (cid):219672
Pubchem (sid):135263331
 
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 Everything Added to Food in the United States (EAFUS):View
HMDB (The Human Metabolome Database):HMDB31569
FooDB:FDB008186
ChemSpider:View
 
Potential Blenders and core components note
For Odor
amber
amber carane
FR
anisic
ethyl para-anisate
FL/FR
3-
pentyl bicyclo[3.2.1]-6-octen-2-one
FR
balsamic
iso
bornyl propionate
FL/FR
butyl cinnamate
FL/FR
fir carboxylate
FR
frankincense absolute
FL/FR
guaiyl acetate
FL/FR
opoponax absolute (balsamodendron kafal)
FL/FR
scotch
pine wood/needles resinoid
FR
terpinyl cinnamate
FL/FR
tolu balsam oil
FL/FR
berry
raspberry ketone methyl ether
FL/FR
caramellic
5-
ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-one
FL/FR
cheesy
2-
heptanone
FL/FR
coconut
tetrahydrojasmone
FR
earthy
dibenzyl ether
FL/FR
3-
octanol
FL/FR
pinus sylvestris leaf absolute
FL/FR
fatty
hexyl pivalate
FR
floral
alpha-
amyl cinnamyl acetate
FL/FR
anise indene
FR
benzaldehyde propylene glycol acetal
FL/FR
boronia absolute
FL/FR
bursera graveolens wood oil
FL/FR
iso
butyl salicylate
FL/FR
cardamom absolute
FL/FR
cassie absolute
FL/FR
para-
cresyl acetate
FL/FR
beta-
damascenone
FL/FR
dihydrojasmone
FL/FR
2,4-
dimethyl cyclohexyl methyl acetate
FR
iso
eugenyl ethyl acetal
FR
heliotropyl diethyl acetal
FR
2-
hexylidene cyclopentanone
FL/FR
ionone mixed isomers
FL/FR
(Z)-
jasmone
FL/FR
linalyl propionate
FL/FR
N-
methyl ionone
FR
mimosa absolute
FL/FR
mimosa absolute france
FL/FR
mimosa absolute india
FL/FR
rhodinyl isobutyrate
FL/FR
rose carboxylate
FR
souroubea specialty
FR
tuberose absolute (from concrete)
FL/FR
tuberose absolute (from pommade)
FL/FR
ylang ylang flower absolute
FL/FR
ylang ylang flower oil III
FL/FR
fruity
para-
anisyl methyl ketone
FL/FR
buchu wood specialty
FL/FR
cinnamyl isobutyrate
FL/FR
1,4-
diethyl-6,8-dioxabicyclo(3.2.1)octane
FR
1-(3,3-
dimethyl bicyclo(2.2.1)hept-2-yl)-2-methyl cyclohex-3-ene carbaldehyde
FR
1,4-
dimethyl bicyclo(3.2.1)oct-3-yl acetate
FR
1,2-
dimethyl butyl 2-butenoate
FR
ethyl isovalerate
FL/FR
trans-1-
ethyl-2-methyl propyl 2-butenoate
FL/FR
geranyl acetoacetate
FL/FR
green acetate
FR
heptyl isovalerate
FL/FR
methyl (Z)-5-octenoate
FL/FR
octyl propionate
FL/FR
2-
pentanone
FL/FR
perillyl acetate
FL/FR
pineapple hydroxyhexanoate
FL/FR
strawberry furanone butyrate
FL/FR
xanthoxylum fruit oil
FR
green
(Z)-3-
hexen-1-yl benzoate
FL/FR
octanal diethyl acetal
FL/FR
(E)-2-
pentenal
FL/FR
thuja occidentalis leaf absolute
FR
herbal
anthemis nobilis flower oil roman
FL/FR
bornyl 2-methyl butyrate
FL/FR
bornyl butyrate
FL/FR
canarium luzonicum oil
FL/FR
clary sage absolute
FL/FR
dimethyl benzyl carbinyl crotonate
FL/FR
herbal specialty
FR
herbal undecanone
FR
lavender absolute bulgaria
FL/FR
methyl cyclogeranate (Firmenich)
FR
myrtle oil
FL/FR
myrtle oil morocco
FL/FR
curled
parsley seed oil
FL/FR
common
tansy flower oil
FR
common
tansy flower oil dutch
FR
theaspirane
FL/FR
tricyclodecenyl propionate
FR
honey
methyl phenyl acetate
FL/FR
phenolic
4-
methyl-2,6-dimethoxyphenol
FL/FR
spicy
allspice berry absolute
FL/FR
alpha-
amyl cinnamyl alcohol
FL/FR
amyl isoeugenol
FR
homo
anisaldehyde
FL/FR
para-
anisyl formate
FL/FR
atractylis root oil
FR
cananga leaf oil
FR
carvacrol
FL/FR
caryophyllene
FL/FR
beta-
caryophyllene
FL/FR
alpha-
caryophyllene alcohol
FL/FR
cinnamon bark oil (cinnamomum zeylanicum) india
FL/FR
cinnamon bark oil ceylon
FL/FR
cinnamon leaf oil ceylon
FL/FR
cinnamon oleoresin ceylon
FL/FR
(E)-
cinnamyl acetate
FL/FR
cinnamyl acetate
FL/FR
clove bud absolute
FL/FR
croton eluteria bark oil
FL/FR
iso
cyclogeraniol (IFF)
FR
N,N-
diethyl octanamide
FR
2,5-
dimethyl bicyclo(3.2.1)-2-octen-3-yl acetate + 1,4-dimethyl bicyclo(3.2.1)-2-octen-3-yl acetate
FR
iso
eugenyl acetate
FL/FR
eugenyl isovalerate
FL/FR
galangal root oil
FL/FR
ginger oleoresin africa
FL/FR
ginger root oil brazil
FL/FR
ginger root oil china
FL/FR
grains of paradise oil
FL/FR
green oxane
FR
mace oil
FL/FR
(E)-para-
methoxycinnamaldehyde
FL/FR
methyl heptadienone
FL/FR
(E)-
propyl 2-furan acrylate
FL/FR
spicy carbonate
FR
(E)-
tiglic acid
FL/FR
turmeric root absolute
FL/FR
terpenic
para-
cymene
FL/FR
pine needle oil dwarf
FL/FR
thujonic
common
tansy oil canada
FR
vanilla
vanillin propylene glycol acetal
FL/FR
waxy
orris rhizome oil CO2 extract
FL/FR
woody
iso
caryophyllene
CS
caryophyllene alcohol acetate
FR
beta-
caryophyllene alcohol acetate
FL/FR
beta-
caryophyllene oxide
FL/FR
atlas
cedarwood oil
FR
dacrydium franklinii wood oil
FR
frankincense resinoid
FL/FR
(E)-
germacrene D
FL/FR
guaiacwood oil
FL/FR
juniper berry oleoresin
FL/FR
kaempferia galanga rhizome oil
FL/FR
melozol acetate
FR
patchouli absolute
FR
rhubarb oxirane
FR
1-(5',5',6'-
trimethyl bicyclo(2.2.1)hept-2'-ylidene) propan-2-one
FR
vetiver oil fractions
FR
zedoary bark oil
FL/FR
For Flavor
No flavor group found for these
homo
anisaldehyde
FL/FR
benzyl methyl tiglate
FL
bornyl 2-methyl butyrate
FL/FR
bornyl butyrate
FL/FR
buchu wood specialty
FL/FR
bursera graveolens wood oil
FL/FR
butyl cinnamate
FL/FR
alpha-
caryophyllene alcohol
FL/FR
beta-
caryophyllene alcohol acetate
FL/FR
(E)-
cinnamyl acetate
FL/FR
dimethyl benzyl carbinyl crotonate
FL/FR
O-
ethyl S-(2-furyl methyl) thiocarbonate
FL
trans-1-
ethyl-2-methyl propyl 2-butenoate
FL/FR
5-
ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-one
FL/FR
eugenyl isovalerate
FL/FR
(E)-
germacrene D
FL/FR
grains of paradise oil
FL/FR
guaiyl acetate
FL/FR
heptyl isovalerate
FL/FR
2-
hexylidene cyclopentanone
FL/FR
ionone mixed isomers
FL/FR
(E)-para-
methoxycinnamaldehyde
FL/FR
(±)-3-((2-
methyl-3-furyl)thio)-2-butanone
FL
myrtle oil morocco
FL/FR
pinus sylvestris leaf absolute
FL/FR
hexyl 3-mercaptobutanoate
FL
anise
anise
ethyl para-anisate
FL/FR
aromatic
para-
cresyl acetate
FL/FR
balsamic
iso
bornyl propionate
FL/FR
opoponax absolute (balsamodendron kafal)
FL/FR
tolu balsam oil
FL/FR
berry
perillyl acetate
FL/FR
raspberry ketone methyl ether
FL/FR
brown
(E)-
tiglic acid
FL/FR
camphoreous
kaempferia galanga rhizome oil
FL/FR
caramellic
5-
ethyl-3,4,5,6-tetramethyl cyclohexen-2-one
FL
cheesy
2-
heptanone
FL/FR
cooling
iso
butyl salicylate
FL/FR
theaspirane
FL/FR
creamy
2,4-
heptadienal
FL
dairy
methyl (Z)-5-octenoate
FL/FR
earthy
alpha-
amyl cinnamyl acetate
FL/FR
estery
octyl propionate
FL/FR
fatty
(Z)-3-
hexen-1-yl benzoate
FL/FR
2,4-
undecadienal
FL
floral
cardamom absolute
FL/FR
dihydrojasmone
FL/FR
methyl phenyl acetate
FL/FR
rhodinyl isobutyrate
FL/FR
tuberose absolute (from concrete)
FL/FR
tuberose absolute (from pommade)
FL/FR
ylang ylang flower absolute
FL/FR
ylang ylang flower oil III
FL/FR
fruity
benzaldehyde propylene glycol acetal
FL/FR
boronia absolute
FL/FR
cinnamyl isobutyrate
FL/FR
dibenzyl ether
FL/FR
ethyl isovalerate
FL/FR
2-
pentanone
FL/FR
pineapple hydroxyhexanoate
FL/FR
(E)-
propyl 2-furan acrylate
FL/FR
strawberry furanone butyrate
FL/FR
terpinyl cinnamate
FL/FR
green
canarium luzonicum oil
FL/FR
clary sage absolute
FL/FR
(E,E)-2,4-
hexadienal
FL
methyl heptadienone
FL/FR
octanal diethyl acetal
FL/FR
(E)-2-
pentenal
FL/FR
herbal
anthemis nobilis flower oil roman
FL/FR
lavender absolute bulgaria
FL/FR
linalyl propionate
FL/FR
curled
parsley seed oil
FL/FR
medicinal
frankincense absolute
FL/FR
musty
geranyl acetoacetate
FL/FR
3-
octanol
FL/FR
phenolic
4-
methyl-2,6-dimethoxyphenol
FL/FR
pine
pine needle oil dwarf
FL/FR
solvent
methyl phenyl sulfide
FL
spicy
allspice berry absolute
FL/FR
alpha-
amyl cinnamyl alcohol
FL/FR
para-
anisyl formate
FL/FR
para-
anisyl methyl ketone
FL/FR
carvacrol
FL/FR
caryophyllene
FL/FR
beta-
caryophyllene
FL/FR
cassie absolute
FL/FR
cinnamon bark oil (cinnamomum zeylanicum) india
FL/FR
cinnamon bark oil ceylon
FL/FR
cinnamon leaf oil ceylon
FL/FR
cinnamon oleoresin ceylon
FL/FR
cinnamyl acetate
FL/FR
clove bud absolute
FL/FR
croton eluteria bark oil
FL/FR
iso
eugenyl acetate
FL/FR
galangal root oil
FL/FR
ginger oleoresin africa
FL/FR
ginger root oil brazil
FL/FR
ginger root oil china
FL/FR
mace oil
FL/FR
4-
methyl biphenyl
FL
myrtle oil
FL/FR
turmeric oleoresin
FL
turmeric root absolute
FL/FR
tea
red rooibos
tea leaf distillates
FL
terpenic
para-
cymene
FL/FR
vanilla
vanillin propylene glycol acetal
FL/FR
waxy
mimosa absolute
FL/FR
mimosa absolute france
FL/FR
mimosa absolute india
FL/FR
woody
beta-
caryophyllene oxide
FL/FR
beta-
damascenone
FL/FR
frankincense resinoid
FL/FR
guaiacwood oil
FL/FR
(Z)-
jasmone
FL/FR
juniper berry oleoresin
FL/FR
orris rhizome oil CO2 extract
FL/FR
zedoary bark oil
FL/FR
 
Potential Uses:
FRbalsam
FRherbal
FRmoss
FRspice
FRwoody
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 benzyl 2-methylpropyl ketone
 benzyl isobutyl ketone
isobutyl benzyl ketone
4-methyl-1-phenyl pentan-2-one
4-methyl-1-phenyl-2-pentanone
4-methyl-1-phenylpentan-2-one
2-pentanone, 4-methyl-1-phenyl-
 

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Notes:
Flavouring ingredient
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