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para-cresyl isovalerate

Chemical Structure

General Material Information

Preferred name para-cresyl isovalerate
Trivial Name p-Cresyl isovalerate
Short Description p-tolyl 3-methylbutyrate
Formula C12 H16 O2
CAS Number 55066-56-3
FEMA Number 3387
Flavis Number 9.518
ECHA Number 259-465-5
FDA UNII C8JG0XTQ0Z
Nikkaji Number J183.053H
MDL MFCD00036648
COE Number 10545
NMR Predictor External link
JECFA Food Flavoring 702 p-tolyl 3-methylbutyrate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 55066-56-3 ; P-TOLYL 3-METHYLBUTYRATE
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-
  • iso valeric acid p-tolyl ester
  • (4-methylphenyl) 3-methylbutanoate
  • Isovaleric acid, p-tolyl ester
  • p-Cresyl isovalerate
  • 3-Methylbutanoic acid 4-methylphenyl ester
  • NSC 32511

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
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

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 192.25791931152
Acid Value 1 max KOH/g
Vapor Pressure 0.011 mmHg @ 25 °C
Flash Point TCC Value 98.33 °C TCC
logP (o/w) 3.453 est
Solubility
alcohol Yes
water, 45.68 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Tobacco
tobacco, animal, sweet, herbal
Odor strength medium , recommend smelling in a 0.10 % solution or less
Substantivity 40 hour(s) at 100.00 %
Luebke, William tgsc, (1989) At 0.10 % in dipropylene glycol. tobacco animal sweet herbal
Flavor Type: Phenolic
phenolic, animal, tobacco, cheesy limburger cheese, dairy, ripe, fecal
Luebke, William tgsc, (1989) Phenolic animal tobacco limburger cheese dairy ripe fecal

Occurrences

Potential Uses

Applications
Odor purposes Amber, Ambergris, Animal, Coffee, Passion fruit, Raspberry, Saffron, Tobacco
Flavoring purposes Tea, Whiskey
Cosmetic purposes Perfuming agents

Safety Information

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
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 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
Click here to view publication 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
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
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