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

para-cresyl isovalerate
p-tolyl 3-methylbutyrate

Sponsors

Name:(4-methylphenyl) 3-methylbutanoate
CAS Number: 55066-56-3Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:259-465-5
FDA UNII:C8JG0XTQ0Z
Nikkaji Web:J183.053H
MDL:MFCD00036648
CoE Number:10545
XlogP3:3.50 (est)
Molecular Weight:192.25792000
Formula:C12 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
PubMed:Search
NCBI:Search
JECFA Food Flavoring:702 p-tolyl 3-methylbutyrate
FLAVIS Number:09.518 (Old)
DG SANTE Food Flavourings:09.518 4-methylphenyl isovalerate
FEMA Number:3387 p-tolyl 3-methylbutyrate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: P-TOLYL 3-METHYLBUTYRATE
 
Physical Properties:
Appearance:colorless clear oily liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 103.00 °C. @ 2.00 mm Hg
Boiling Point: 125.00 °C. @ 10.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure:0.011000 mm/Hg @ 25.00 °C. (est)
Flash Point: 209.00 °F. TCC ( 98.33 °C. )
logP (o/w): 3.453 (est)
Soluble in:
 alcohol
 water, 45.68 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items:note
allyl valerate
allyl isovalerate
amyl valerate
amyl isovalerate
isoamyl valerate
isoamyl isovalerate
para-anisyl isovalerate
para-anisyl valerate
benzyl valerate
benzyl isovalerate
bornyl valerate
bornyl isovalerate
(-)-bornyl isovalerate
isobornyl isovalerate
S-sec-butyl thioisovalerate
butyl valerate
butyl isovalerate
isobutyl valerate
isobutyl isovalerate
carvyl isovalerate
cinnamyl valerate
cinnamyl isovalerate
citronellyl valerate
citronellyl isovalerate
para-cresyl valerate
cyclohexyl valerate
cyclohexyl isovalerate
cyclotene isovalerate
decyl valerate
decyl isovalerate
ethyl valerate
ethyl isovalerate
eugenyl isovalerate
furfuryl isovalerate
furfuryl valerate
geranyl valerate
geranyl isovalerate
(E)-2-hepten-1-yl isovalerate
heptyl isovalerate
sec-heptyl isovalerate
heptyl valerate
(E)-2-hexen-1-yl valerate
(E)-2-hexen-1-yl isovalerate
(Z)-3-hexen-1-yl valerate
(Z)-3-hexen-1-yl isovalerate
hexyl valerate
hexyl isovalerate
linalyl valerate
linalyl isovalerate
menthyl valerate
menthyl isovalerate
methyl 2-methyl valerate
methyl 4-methyl valerate
2-methyl butyl isovalerate
4-methyl pentyl isovalerate
methyl thio isovalerate
methyl valerate
methyl isovalerate
myrtenyl isovalerate
neryl isovalerate
nonyl isovalerate
nonyl valerate
octyl valerate
octyl isovalerate
phenethyl isovalerate
2-phenethyl valerate
3-phenyl propyl isovalerate
phenyl propyl valerate
S-prenyl thioisovalerate
isopropyl thioisovalerate
propyl valerate
propyl isovalerate
isopropyl valerate
isopropyl isovalerate
rhodinyl isovalerate
terpinyl isovalerate
terpinyl valerate
 
Organoleptic Properties:
Odor Type: tobacco
Odor Strength:medium ,
recommend smelling in a 0.10 % solution or less
Substantivity:40 hour(s) at 100.00 %
tobacco animal sweet herbal
Odor Description:at 0.10 % in dipropylene glycol. tobacco animal sweet herbal
Luebke, William tgsc, (1989)
Odor sample from: Bedoukian Research, Inc.
Flavor Type: phenolic
">phenolic animal tobacco cheesy limburger cheese dairy ripe fecal
Taste Description: phenolic animal tobacco limburger cheese dairy ripe fecal
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
Apiscent Labs
P CRESYL ISOVALERATE
Odor: Tobacco-like, animal, sweet-herbaceous
BOC Sciences
For experimental / research use only.
p-Cresyl Isovalerate
FCI SAS
p-TOLYL ISOVALERATE
Odor: Tobacco-like, animal, sweet-herbaceous
Penta International
p-CRESYL-ISO-VALERATE, Kosher
TCI AMERICA
For experimental / research use only.
Isovaleric Acid p-Tolyl Ester >96.0%(GC)
 
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
 
Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for para-cresyl isovalerate usage levels up to:
  0.2000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.37 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.10 (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: 6
 average usual ppmaverage maximum ppm
baked goods: -2.00000
beverages(nonalcoholic): -1.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -1.00000
fruit ices: -1.00000
gelatins / puddings: -1.00000
granulated sugar: --
gravies: --
hard candy: -1.00000
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 22 (FGE.22): Ring-substituted phenolic substances from chemical groups 21 and 25 (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf

Flavouring Group Evaluation 58 (FGE.58) Consideration of phenol derivatives evaluated by JECFA (55th meeting) structurally related to ring substituted phenolic substances evaluated by EFSA in FGE.22 (2006) (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 22, Revision 1 (FGE.22Rev1): Ring-substituted phenolic substances from chemical groups 21 and 25
View page or View pdf

EPI System: View
EPA Substance Registry Services (TSCA):55066-56-3
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :62092
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
(4-methylphenyl) 3-methylbutanoate
Chemidplus:0055066563
 
References:
 (4-methylphenyl) 3-methylbutanoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:55066-56-3
Pubchem (cid):62092
Pubchem (sid):135021369
 
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
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB37709
FooDB:FDB016837
Export Tariff Code:2915.60.1000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
No odor group found for these
(Z)-
oleyl alcohol
FR
acidic
acidic
iso
butyric acid
FL/FR
amber
amber furan
FR
ambergris naphthol
FR
ambrette seed absolute
FL/FR
alpha-
ambrinol
FL/FR
ambrinol
FR
animal
animal carbolactone
FR
iso
butyl quinoline
FR
iso
butyl quinoline
FR
civet absolute
FL/FR
costus valerolactone
FR
para-
cresyl caprylate
FL/FR
para-
cresyl isobutyrate
FL/FR
para-
cresyl phenyl acetate
FL/FR
indolall
FR
indole
FL/FR
indoletal
FR
6-
methyl quinoline
FL/FR
para-
methyl tetrahydroquinoline
FL/FR
piperidine
FL/FR
skatole
FL/FR
1-oxa
spiro-4,7-dodecane
FR
balsamic
amyl phenyl acetate
FL/FR
guaiyl butyrate
FR
opoponax oil (balsamodendron kafal)
FL/FR
opoponax resinoid (balsamodendron kafal)
FR
cereal
bran absolute
FR
cheesy
butyric acid
FL/FR
iso
valeric acid
FL/FR
chocolate
iso
amyl phenyl acetate
FL/FR
earthy
muscogene
FR
ethereal
propyl valerate
FL/FR
fatty
delta-
juniper lactone
FL/FR
floral
boronia butenal
FR
para-
cresyl acetate
FL/FR
delta-
damascone
FL/FR
white
nelumbo nucifera flower absolute
FR
white
nelumbo nucifera flower concrete
FR
tobacco flower absolute
FR
(E)-2,5,9-
trimethyl-4,9-decadien-1-al
FR
fruity
alpha-
amyl cinnamyl isovalerate
FL/FR
cyclohexanone diethyl acetal
FL/FR
(E)-beta-
damascone
FL/FR
(Z)-beta-
damascone
FL/FR
beta-
damascone
FL/FR
ethyl 3-hydroxyhexanoate
FL/FR
linalyl hexanoate
FL/FR
methyl valerate
FL/FR
sorbyl butyrate
FL/FR
fungal
1-
decen-3-ol
FL/FR
methyl 2-furoate
FL/FR
green
valerian rhizome oil CO2 extract china
FL/FR
hay
beeswax absolute
FL/FR
hay absolute
FR
tobacco leaf absolute
FL/FR
woodruff absolute
FR
herbal
matricaria chamomilla flower oil
FL/FR
methyl nicotinate
FL/FR
petitgrain heptane
FR
saffron indenone
FL/FR
safranal
FL/FR
theaspirane
FL/FR
thyme undecane
FR
valerian rhizome oil
FL/FR
valerian rhizome oil china
FL/FR
yerba mate absolute
FL/FR
honey
phenyl acetic acid
FL/FR
leathery
castoreum absolute
FL/FR
marine
marine pyridine
FR
musk
(3alpha,5alpha)-
androst-16-en-3-ol
FR
(Z)-
civet decenone
FL/FR
ethylene dodecanoate
FR
exaltone (Firmenich)
FR
juniper lactone
FL/FR
delta-
muscenone
FR
dextro,laevo-
muscone
FL/FR
musk dimethyl indane
FL/FR
musk lactone
FR
musk nonane
FR
(Z)-
musk pentane
FR
omega-
pentadecalactone
FL/FR
musty
ketoiso
phorone
FL/FR
orris
2(1)-
orris butanal
FL/FR
phenolic
2'-
hydroxyacetophenone
FL/FR
popcorn
2-
acetyl pyridine
FL/FR
spicy
N,N-
diethyl octanamide
FR
tobacco
3-
ethyl pyridine
FL/FR
methyl benzoxole
FL/FR
tobacco concrete
FR
(E,E/E,Z)-
tobacco cyclohexenone
FL/FR
veltonal (Bedoukian)
FR
tonka
deertongue absolute
FR
gamma-
hexalactone
FL/FR
mint lactone
FL/FR
saffron resinoid
FL/FR
tonka undecanone
FR
tropical
genet absolute
FL/FR
vanilla
propenyl guaethol
FL/FR
woody
amber decatriene
FR
alpha-
cedrene epoxide
FR
costus specialty
FR
iso
longifolene ketone
FR
spikenard oil
FL/FR
tobacarol (IFF)
FR
tobacco nonene
FR
woody dioxolane
FR
woody ether
FR
For Flavor
No flavor group found for these
amyl phenyl acetate
FL/FR
capsicum oleoresin
FL
cyclohexanone diethyl acetal
FL/FR
2,6-
dimethoxy-4-vinyl phenol
FL
fig leaf absolute
FL
linalyl hexanoate
FL/FR
4-
methyl cyclohexanone
FL
methyl nicotinate
FL/FR
para-
methyl tetrahydroquinoline
FL/FR
2(1)-
orris butanal
FL/FR
piperidine
FL/FR
2-
propyl pyridine
FL
propyl valerate
FL/FR
skatole
FL/FR
spikenard oil
FL/FR
beta-
damascone
FL/FR
acidic
acidic
iso
butyric acid
FL/FR
amber
alpha-
ambrinol
FL/FR
animal
civet absolute
FL/FR
para-
cresyl caprylate
FL/FR
indole
FL/FR
6-
methyl quinoline
FL/FR
aromatic
para-
cresyl acetate
FL/FR
para-
cresyl isobutyrate
FL/FR
balsamic
opoponax oil (balsamodendron kafal)
FL/FR
brown
beeswax absolute
FL/FR
caramellic
3-
ethyl pyridine
FL/FR
methyl 2-furoate
FL/FR
cheesy
iso
valeric acid
FL/FR
citrus
ketoiso
phorone
FL/FR
cooling
theaspirane
FL/FR
corn
2-
acetyl pyridine
FL/FR
creamy
cream
cheese flavor
FL
gamma-
hexalactone
FL/FR
mint lactone
FL/FR
dairy
4-
pentenoic acid
FL
earthy
1-
decen-3-ol
FL/FR
fatty
delta-
juniper lactone
FL/FR
fermented
methyl thio isovalerate
FL
floral
iso
amyl phenyl acetate
FL/FR
phenyl acetic acid
FL/FR
fruity
alpha-
amyl cinnamyl isovalerate
FL/FR
(Z)-beta-
damascone
FL/FR
(E)-beta-
damascone
FL/FR
ethyl 3-hydroxyhexanoate
FL/FR
methyl valerate
FL/FR
sorbyl butyrate
FL/FR
valerian rhizome oil
FL/FR
valerian rhizome oil china
FL/FR
valerian rhizome oil CO2 extract china
FL/FR
grassy
tobacco leaf absolute
FL/FR
hay
genet absolute
FL/FR
herbal
matricaria chamomilla flower oil
FL/FR
saffron indenone
FL/FR
yerba mate absolute
FL/FR
leathery
castoreum absolute
FL/FR
musk
(Z)-
civet decenone
FL/FR
juniper lactone
FL/FR
dextro,laevo-
muscone
FL/FR
musk dimethyl indane
FL/FR
naphthyl
2'-
hydroxyacetophenone
FL/FR
nutty
methyl benzoxole
FL/FR
(E,E/E,Z)-
tobacco cyclohexenone
FL/FR
phenolic
para-
cresyl phenyl acetate
FL/FR
roasted
ethyl 3-(furfuryl thio) propionate
FL
sour
butyric acid
FL/FR
3-
methyl valeric acid
FL
spicy
paprika oleoresin
FL
sweet
saffron resinoid
FL/FR
vanilla
omega-
pentadecalactone
FL/FR
propenyl guaethol
FL/FR
woody
ambrette seed absolute
FL/FR
delta-
damascone
FL/FR
safranal
FL/FR
 
Potential Uses:
FRamber
FRambergris
FRanimal
FRcoffee
FRpassion fruit
FRraspberry
FRsaffron
FLtea
FRtobacco
FLwhiskey
 
Occurrence (nature, food, other):note
 coffee
Search PMC Picture
 passion fruit
Search Trop Picture
 raspberry red raspberry fruit
Search Trop Picture
 rum
Search PMC Picture
 soybean
Search Trop Picture
 tea
Search Trop Picture
 whiskey
Search Picture
 
Synonyms:
 butanoic acid, 3-methyl-, 4-methylphenyl ester
p-cresol isovalerate
p-cresyl 3-methyl butanoate
para-cresyl 3-methyl butanoate
p-cresyl 3-methylbutanoate
para-cresyl 3-methylbutanoate
 cresyl 3-methylbutanoate, p-
p-cresyl isovalerate
p cresyl isovalerate
 cresyl isovalerate, p-
p-cresyl-iso-valerate
3-methyl butanoic acid 4-methyl phenyl ester
4-methyl phenyl 3-methyl butanoate
para-methyl phenyl 3-methyl butyrate
(4-methyl phenyl) 3-methyl butanoate
3-methylbutanoic acid 4-methylphenyl ester
4-methylphenyl 3-methylbutanoate
p-methylphenyl 3-methylbutyrate
 methylphenyl 3-methylbutyrate, p-
4-methylphenyl isovalerate
(4-methylphenyl) 3-methylbutanoate
para-tolyl 3-methyl butyrate
p-tolyl 3-methylbutyrate
 tolyl 3-methylbutyrate, p-
p-tolyl isovalerate
para-tolyl isovalerate
 tolyl isovalerate, p-
isovaleric acid p-tolyl ester
 
 
Notes:
Flavouring ingredient
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