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

ortho-cresyl isobutyrate
o-tolyl isobutyrate

Supplier Sponsors

Name:(2-methylphenyl) 2-methylpropanoate
CAS Number: 36438-54-7Picture of molecule3D/inchi
FDA UNII:X2ORQ6I00S
Nikkaji Web:J1.539.191J
MDL:MFCD00209539
CoE Number:681
XlogP3:2.70 (est)
Molecular Weight:178.23098000
Formula:C11 H14 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:700 o-tolyl isobutyrate
FLAVIS Number:09.480 (Old)
DG SANTE Food Flavourings:09.480 o-tolyl isobutyrate
FEMA Number:3753 o-tolyl isobutyrate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):36438-54-7 ; O-TOLYL ISOBUTYRATE
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.00000 to 1.00700 @ 25.00 °C.
Pounds per Gallon - (est).: 8.321 to 8.379
Refractive Index:1.48200 to 1.48800 @ 20.00 °C.
Boiling Point: 107.00 to 108.00 °C. @ 8.00 mm Hg
Boiling Point: 238.00 to 239.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.039000 mmHg @ 25.00 °C. (est)
Flash Point: 203.00 °F. TCC ( 95.00 °C. )
logP (o/w): 2.872 (est)
Soluble in:
 alcohol
 water, 140.7 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: phenolic
Odor Strength:high ,
recommend smelling in a 0.10 % solution or less
phenolic berry medicinal
Odor Description:at 0.10 % in dipropylene glycol. phenolic berry medical
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
ortho-Cresyl Isobutyrate
Parchem
ortho-cresyl isobutyrate
Penta International
O-TOLYL ISOBUTYRATE
Synerzine
o-Tolyl Isobutyrate
 
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 ortho-cresyl isobutyrate usage levels up to:
  0.3000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.024 (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: 14
 average usual ppmaverage maximum ppm
baked goods: -9.00000
beverages(nonalcoholic): -8.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -8.00000
fruit ices: --
gelatins / puddings: -8.00000
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: -8.00000
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 ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :61954
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
(2-methylphenyl) 2-methylpropanoate
Chemidplus:0036438547
 
References:
 (2-methylphenyl) 2-methylpropanoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:36438-54-7
Pubchem (cid):61954
Pubchem (sid):135018916
 
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 Substances Added to Food (formerly EAFUS):View
HMDB (The Human Metabolome Database):HMDB37680
FooDB:FDB016807
Export Tariff Code:2915.60.0000
ChemSpider:View
 
Potential Blenders and core components note
For Odor
amber
amber furan
FR
ambergris naphthol
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
para-
methyl tetrahydroquinoline
FL/FR
piperidine
FL/FR
skatole
FL/FR
1-oxa
spiro-4,7-dodecane
FR
anisic
ortho-
acetanisole
FL/FR
balsamic
amyl phenyl acetate
FL/FR
sumatra
benzoin absolute
FL/FR
guaiyl butyrate
FR
opoponax oil (balsamodendron kafal)
FL/FR
opoponax resinoid (balsamodendron kafal)
FR
camphoreous
dextro-
camphor
FL/FR
chocolate
iso
amyl phenyl acetate
FL/FR
vanillyl ethyl ether
FL/FR
coumarinic
phthalide
FL/FR
creamy
para-
vanillyl alcohol
FL/FR
earthy
muscogene
FR
ethereal
propyl valerate
FL/FR
fatty
delta-
juniper lactone
FL/FR
floral
benzyl alcohol
FL/FR
para-
cresyl acetate
FL/FR
dimethyl anthranilate
FL/FR
(E)-2,5,9-
trimethyl-4,9-decadien-1-al
FR
fruity
linalyl hexanoate
FL/FR
meta-
tolualdehyde
FL/FR
para-
tolualdehyde
FL/FR
green
diphenyl oxide
FL/FR
seaweed absolute (fucus vesiculosus et serratus)
FL/FR
valerian rhizome oil CO2 extract china
FL/FR
herbal
petitgrain heptane
FR
red
thyme oil india
FL/FR
red
thyme oil spain
FL/FR
thymol
FL/FR
valerian rhizome oil
FL/FR
valerian rhizome oil china
FL/FR
yerba mate absolute
FL/FR
honey
phenyl pyruvic acid
FL/FR
leathery
castoreum absolute
FL/FR
marine
marine pyridine
FR
medicinal
2,6-
xylenol
FL/FR
minty
piperitenone
FL/FR
mossy
oakmoss concrete
FR
sea resorcylate
FR
veramoss (IFF)
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
musk dimethyl indane
FL/FR
musk lactone
FR
musk nonane
FR
(Z)-
musk pentane
FR
omega-
pentadecalactone
FL/FR
nutty
nutty cyclohexenone
FL/FR
phenolic
anisole
FL/FR
para-
cresol
FL/FR
meta-
cresol
FR
ortho-
cresol
FR
2,3-
dimethyl benzofuran
FL/FR
para-alpha-
dimethyl styrene
FL/FR
ortho-
guaiacol
FL/FR
2'-
hydroxyacetophenone
FL/FR
methyl benzoate
FL/FR
4-
methyl-2,6-dimethoxyphenol
FL/FR
piper betle leaf oil
FR
4-
propyl phenol
FL/FR
2-
propyl phenol
FL/FR
4-
vinyl phenol
FL/FR
2,5-
xylenol
FL/FR
2,3-
xylenol
FL/FR
smoky
4-
ethyl phenol
FL/FR
pyroligneous acids
FL/FR
spicy
4-
ethyl guaiacol
FL/FR
4-
methyl guaiacol
FL/FR
zingerone
FL/FR
tobacco
para-
cresyl isovalerate
FL/FR
vanilla
ortho-
dimethyl hydroquinone
FL/FR
woody
guaiacyl acetate
FL/FR
spikenard oil
FL/FR
beta-
thujaplicin
FR
For Flavor
No flavor group found for these
amyl phenyl acetate
FL/FR
chavicol
FL
2,4-
dihydroxybenzoic acid
FL
2,6-
dimethoxy-4-vinyl phenol
FL
ortho-
dimethyl hydroquinone
FL/FR
linalyl hexanoate
FL/FR
3-
methyl crotonic acid
FL
4-
methyl cyclohexanone
FL
4-
methyl salicylaldehyde
FL
para-
methyl tetrahydroquinoline
FL/FR
piperidine
FL/FR
piperitenone
FL/FR
4-
propyl phenol
FL/FR
2-
propyl phenol
FL/FR
propyl valerate
FL/FR
para-
salicylic acid
FL
seaweed absolute (fucus vesiculosus et serratus)
FL/FR
skatole
FL/FR
spikenard oil
FL/FR
amber
amber
alpha-
ambrinol
FL/FR
ammoniacal
pyrrolidine
FL
animal
civet absolute
FL/FR
para-
cresyl caprylate
FL/FR
indole
FL/FR
aromatic
anisole
FL/FR
para-
cresyl acetate
FL/FR
para-
cresyl isobutyrate
FL/FR
balsamic
opoponax oil (balsamodendron kafal)
FL/FR
burnt
2,6-
xylenol
FL/FR
chemical
2,3-
dimethyl benzofuran
FL/FR
coumarinic
phthalide
FL/FR
creamy
para-
vanillyl alcohol
FL/FR
fatty
delta-
juniper lactone
FL/FR
fishy
3-
penten-2-one
FL
floral
iso
amyl phenyl acetate
FL/FR
fruity
benzyl alcohol
FL/FR
dimethyl anthranilate
FL/FR
meta-
tolualdehyde
FL/FR
valerian rhizome oil
FL/FR
valerian rhizome oil china
FL/FR
valerian rhizome oil CO2 extract china
FL/FR
green
diphenyl oxide
FL/FR
herbal
red
thyme oil india
FL/FR
red
thyme oil spain
FL/FR
yerba mate absolute
FL/FR
leathery
castoreum absolute
FL/FR
meaty
2,6-
dimethyl thiophenol
FL
ortho-
thioguaiacol
FL
medicinal
dextro-
camphor
FL/FR
musk
(Z)-
civet decenone
FL/FR
juniper lactone
FL/FR
musk dimethyl indane
FL/FR
musty
2-
ethoxythiazole
FL
2,5-
xylenol
FL/FR
naphthyl
2'-
hydroxyacetophenone
FL/FR
nutty
nutty cyclohexenone
FL/FR
phenolic
para-
cresol
FL/FR
para-
cresyl isovalerate
FL/FR
para-
cresyl phenyl acetate
FL/FR
methyl benzoate
FL/FR
4-
methyl-2,6-dimethoxyphenol
FL/FR
phenyl pyruvic acid
FL/FR
thymol
FL/FR
4-
vinyl phenol
FL/FR
2,3-
xylenol
FL/FR
powdery
ortho-
acetanisole
FL/FR
roasted
ethyl 3-(furfuryl thio) propionate
FL
rummy
vanillyl ethyl ether
FL/FR
smoky
4-
ethyl phenol
FL/FR
pyroligneous acids
FL/FR
sour
3-
methyl valeric acid
FL
spicy
sumatra
benzoin absolute
FL/FR
para-alpha-
dimethyl styrene
FL/FR
para-
tolualdehyde
FL/FR
zingerone
FL/FR
vanilla
4-
methyl guaiacol
FL/FR
omega-
pentadecalactone
FL/FR
vegetable
tyramine
FL
woody
4-
ethyl guaiacol
FL/FR
ortho-
guaiacol
FL/FR
guaiacyl acetate
FL/FR
 
Potential Uses:
FRberry
FRjasmin
FRnarcissus
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
isobutyric acid, 2-methylphenyl ester
o-isocresyl butyrate
o-cresyl isobutyrate
 cresyl isobutyrate, o-
2-methyl phenyl 2-methyl propanoate
o-methyl phenyl isobutyrate
ortho-methyl phenyl isobutyrate
2-methyl propanoic acid 2-methyl phenyl ester
2-methylphenyl 2-methylpropanoate
o-methylphenyl isobutyrate
ortho-methylphenyl isobutyrate
 methylphenyl isobutyrate, o-
(2-methylphenyl) 2-methylpropanoate
2-methylpropanoic acid 2-methylphenyl ester
 propanoic acid, 2-methyl-, 2-methylphenyl ester
o-tolyl 2-methyl propanoate
ortho-tolyl 2-methyl propanoate
o-tolyl 2-methylpropanoate
ortho-tolyl 2-methylpropanoate
 tolyl 2-methylpropanoate, o-
o-tolyl isobutyrate
ortho-tolyl isobutyrate
 tolyl isobutyrate, o-
 
 
Notes:
Flavouring ingredient
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