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para-cresyl isobutyrate

Chemical Structure

General Material Information

Preferred name para-cresyl isobutyrate
Trivial Name 4-Methylphenyl 2-methylpropanoate
Short Description p-tolyl isobutyrate
Formula C11 H14 O2
CAS Number 103-93-5
FEMA Number 3075
Flavis Number 9.429
ECHA Number 203-159-6
FDA UNII 8H719PT14T
Nikkaji Number J36.973J
Beilstein Number 2519560
MDL MFCD00026440
COE Number 304
NMR Predictor External link
JECFA Food Flavoring 701 p-tolyl isobutyrate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 103-93-5 ; P-TOLYL ISOBUTYRATE
Synonyms
  • iso butyric acid p-tolyl ester
  • iso butyric acid, p-tolyl ester
  • p- cresyl iso butyrate
  • para- cresyl iso butyrate
  • p- cresyl isobutyrate
  • cresyl isobutyrate, p-
  • p- cresyl-iso-butyrate FCC
  • p- methyl phenyl 2-methyl propanoate
  • para- methyl phenyl 2-methyl propanoate
  • p- methyl phenyl isobutyrate
  • para- methyl phenyl isobutyrate
  • 4-methylphenyl 2-methylpropanoate
  • p- methylphenyl 2-methylpropanoate
  • para- methylphenyl 2-methylpropanoate
  • methylphenyl 2-methylpropanoate, p-
  • p- methylphenyl isobutyrate
  • para- methylphenyl isobutyrate
  • (4-methylphenyl) 2-methylpropanoate
  • proapnoic acid, 2-methyl-, 4-methylphenyl ester
  • propanoic acid, 2-methyl-, 4-methylphenyl ester
  • p- tolyl 2-methyl propanoate
  • para- tolyl 2-methyl propanoate
  • p- tolyl 2-methylpropanoate
  • para- tolyl 2-methylpropanoate
  • tolyl 2-methylpropanoate, p-
  • p- tolyl isobutyrate
  • para- tolyl isobutyrate
  • (4-methylphenyl) 2-methylpropanoate
  • Isobutyric acid, p-tolyl ester
  • 4-Methylphenyl 2-methylpropanoate
  • p-Cresyl isobutyrate
  • p-Tolyl isobutyrate
  • p-Methylphenyl isobutyrate
  • 2-Methylpropanoic acid 4-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):HMDB37708
FooDB:FDB016836
Export Tariff Code:2915.90.2000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex Yes
Molecular weight 178.23098754883
Specific gravity @ 25 °C
Pounds per Gallon 8.213 to 8.279
Specific gravity @ 20 °C
Pounds per Gallon 8.247 to 8.314
Refractive Index 1.481 to 1.491 @ 20 °C
Acid Value 1 max KOH/g
Vapor Pressure 0.04 mmHg @ 20 °C
Vapor Density 1
Flash Point TCC Value 96.11 °C TCC
logP (o/w) 2.943 est
Solubility
alcohol Yes
water, 140.7 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Animal
animal, floral, lily, narcissus, green, fruity
Luebke, William tgsc, (1991) At 1.00 % in dipropylene glycol. animal floral lily narcissus green fruity
Flavor Type: Aromatic
aromatic, fruity, phenolic
General comment Aromatic, fruity, phenolic note
Used in honey, tea and liqueur flavors. Floral

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
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.
Human Experience:
4 % solution: no irritation or sensitization.
Oral/Parenteral Toxicity:
oral-rat LD50 3980 mg/kg
Food and Cosmetics Toxicology. Vol. 13, Pg. 773, 1975.

oral-rat LD50 4 mL/kg
Food and Cosmetics Toxicology. Vol. 13, Pg. 773, 1975.

Dermal Toxicity:
skin-rabbit LD50 3970 ul/kg
Food and Cosmetics Toxicology. Vol. 13, Pg. 773, 1975.

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 para-cresyl isobutyrate usage levels up to:
1.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.037 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.01 (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
Click here to view publication 3
average usual ppmaverage maximum ppm
baked goods: 0.120007.00000
beverages(nonalcoholic): 0.100004.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -0.05000
fruit ices: -0.05000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: 0.120006.00000
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
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):103-93-5
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :7685
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
(4-methylphenyl) 2-methylpropanoate
Chemidplus:0000103935
RTECS:NQ5460000 for cas# 103-93-5