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General Material Information

Preferred name para-cresyl caprylate
Trivial Name 4-Methylphenyl octanoate
Short Description p-tolyl octanoate
Formula C15 H22 O2
CAS Number 59558-23-5
FEMA Number 3733
ECHA Number 261-803-1
FDA UNII 065NCY25ZE
Nikkaji Number J65.651H
Beilstein Number 3270557
MDL MFCD00027318
xLogP3-AA 5.00 (est)
Bio Activity Summary External link
NMR Predictor External link
JECFA Food Flavoring 703 p-tolyl octanoate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 59558-23-5 ; P-TOLYL OCTANOATE
Synonyms
  • p- cresyl caprylate
  • para- cresyl caprylate
  • p- cresyl capyrlate
  • p- cresyl octanoate
  • para- cresyl octanoate
  • cresyl octanoate, p-
  • 4-methyl phenyl octanoate
  • para- methyl phenyl octanoate
  • 4-methylphenyl octanoate
  • p- methylphenyl octanoate
  • methylphenyl octanoate, p-
  • (4-methylphenyl) octanoate
  • narcissin K
  • octanoic acid 4-methyl phenyl ester
  • octanoic acid 4-methylphenyl ester
  • octanoic acid p-tolyl ester
  • N- octanoic acid p-tolyl ester
  • octanoic acid para-tolyl ester
  • octanoic acid, 4-methylphenyl ester
  • octanoic acid, p-tolyl ester
  • p- tolyl caprylate
  • p- tolyl n-octanoate
  • p- tolyl octanoate
  • para- tolyl octanoate
  • tolyl octanoate, p-
  • Caprylic acid, p-tolyl ester
  • 4-Methylphenyl octanoate
  • p-Cresyl octanoate
  • p-Cresyl caprylate
  • NSC 24727
  • p-Cresyl n-octanoate
  • (4-Methylphenyl) octanoate

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):HMDB37710
FooDB:FDB016838
Export Tariff Code:2916.39.7900
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 234.33874511719
Specific gravity @ 25 °C
Pounds per Gallon 7.938 to 8.005
Specific gravity @ 20 °C
Pounds per Gallon 7.956 to 8.022
Refractive Index 1.483 to 1.487 @ 20 °C
Vapor Pressure 0.001 mmHg @ 20 °C
Vapor Density 1
Flash Point TCC Value 110 °C TCC
logP (o/w) 5.137 est
Shelf life 24 months (or longer if stored properly.)
Storage notes Store in cool, dry place in tightly sealed containers, protected from heat and light.
Solubility
alcohol Yes
dipropylene glycol Yes
water, 1.313 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Animal
animal, fecal, hay, ylang, jasmin, naphthyl, green
Odor strength medium , recommend smelling in a 1.00 % solution or less
Substantivity 292 hour(s) at 100.00 %
Luebke, William tgsc, (1994) At 1.00 % in dipropylene glycol. animal fecal hay ylang jasmin indole green
Flavor Type: Animal
animal, fecal, leathery, herbal, phenolic
Luebke, William tgsc, (1994) Animal fecal leathery herbal phenolic
Can be used for a hay-like note in cherry and fig flavors. Herbal

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xn - Harmful.
R 22 - Harmful if swallowed.
R 36/38 - Irritating to skin and eyes.
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)
Acute toxicity, Oral (Category 4), H302
GHS Label elements, including precautionary statements
Pictogramexclamation-mark.jpg
Signal word Warning
Hazard statement(s)
H302 - Harmful if swallowed
Precautionary statement(s)
P261 - Avoid breathing dust/fume/gas/mist/vapours/spray.
P264 - Wash skin thouroughly after handling.
P270 - Do not eat, drink or smoke when using this product.
P301 + P312 - IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P330 - Rinse mouth.
P501 - Dispose of contents/ container to an approved waste disposal plant.
Human Experience:
4 % solution: no irritation or sensitization.
Oral/Parenteral Toxicity:
oral-rat LD50 1600 mg/kg
Food and Cosmetics Toxicology. Vol. 16, Pg. 697, 1978.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 16, Pg. 697, 1978.

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 caprylate usage levels up to:
1.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.024 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 1.00 (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: 13
Click here to view publication 13
average usual ppmaverage maximum ppm
baked goods: -5.00000
beverages(nonalcoholic): -5.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -5.00000
fruit ices: --
gelatins / puddings: -5.00000
granulated sugar: --
gravies: --
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: -5.00000
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: -5.00000
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 Substance Registry Services (TSCA):59558-23-5
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :43046
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
(4-methylphenyl) octanoate
Chemidplus:0059558235
RTECS:RH0787500 for cas# 59558-23-5