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ortho-cresyl isobutyrate

Chemical Structure

General Material Information

Preferred name ortho-cresyl isobutyrate
Trivial Name 2-Methylphenyl 2-methylpropanoate
Short Description o-tolyl isobutyrate
Formula C11 H14 O2
CAS Number 36438-54-7
FEMA Number 3753
Flavis Number 9.48
FDA UNII X2ORQ6I00S
Nikkaji Number J1.539.191J
MDL MFCD00209539
COE Number 681
NMR Predictor External link
JECFA Food Flavoring 700 o-tolyl isobutyrate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 36438-54-7 ; O-TOLYL ISOBUTYRATE
Synonyms
  • iso butyric acid, 2-methylphenyl ester
  • o-iso cresyl 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-
  • (2-methylphenyl) 2-methylpropanoate
  • 2-Methylphenyl 2-methylpropanoate
  • o-Methylphenyl isobutyrate
  • o-Tolyl isobutyrate
  • 2-Methylpropionic acid 2-methylphenyl ester

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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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):HMDB37680
FooDB:FDB016807
Export Tariff Code:2915.60.0000
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 178.23098754883
Specific gravity @ 25 °C
Pounds per Gallon 8.321 to 8.379
Refractive Index 1.482 to 1.488 @ 20 °C
Boiling Point 107 to 108°C @ 8 mm Hg
Boiling Point 238 to 239°C @ 760 mm Hg
Vapor Pressure 0.039 mmHg @ 25 °C
Flash Point TCC Value 95 °C TCC
logP (o/w) 2.872 est
Solubility
alcohol Yes
water, 140.7 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Phenolic
phenolic, berry, medicinal
General comment At 0.10 % in dipropylene glycol. phenolic berry medical

Potential Uses

Applications
Odor purposes Berry, Jasmin, Narcissus

Safety Information

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
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
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
Click here to view publication 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
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
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