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para-cresyl acetate

Chemical Structure

General Material Information

Preferred name para-cresyl acetate
Trivial Name 4-Methylphenyl acetate
Short Description p-tolyl acetate
Formula C9 H10 O2
CAS Number 140-39-6
FEMA Number 3073
Flavis Number 9.036
ECHA Number 205-413-1
FDA UNII 42I5PWW20C
Nikkaji Number J3.631E
Beilstein Number 1908125
MDL MFCD00008703
COE Number 226
Bio Activity Summary External link
NMR Predictor External link
JECFA Food Flavoring 699 p-tolyl acetate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 140-39-6 ; P-TOLYL ACETATE
Synonyms
  • acetic acid 4-methyl phenyl ester
  • acetic acid 4-methylphenyl ester
  • acetic acid p-cresyl ester
  • acetic acid p-tolyl ester
  • acetic acid para-tolyl ester
  • acetic acid, 4-methylphenyl ester
  • acetic acid, p-tolyl ester
  • 4-acetoxytoluene
  • p- acetoxytoluene
  • para- acetoxytoluene
  • acetyl p-cresol
  • acetyl para-cresol
  • p- cresol acetate
  • para- cresol acetate
  • p- cresyl acetate
  • para cresyl acetate
  • para- cresyl acetate FCC
  • cresyl acetate para
  • cresyl acetate para coeur (IFF)
  • cresyl acetate, p-
  • p- cresylic acetate
  • para- cresylic acetate
  • cresylic acetate, p-
  • para methyl benzyl acetate
  • 4-methyl phenyl acetate
  • p- methyl phenyl acetate
  • para- methyl phenyl acetate
  • 4-methylphenyl acetate
  • p- methylphenyl acetate
  • (4-methylphenyl) acetate
  • 4-methylphenylaceticacid
  • P- tolyacetate
  • 4-tolyl acetate
  • p- tolyl acetate
  • para- tolyl acetate
  • p- tolyl ethanoate
  • para- tolyl ethanoate
  • (4-methylphenyl) acetate
  • p-Cresol acetate
  • Narceol
  • p-Tolyl acetate
  • p-Tolyl ethanoate
  • p-Methylphenyl acetate
  • p-Acetoxytoluene
  • 4-Methylphenyl acetate
  • 4-Acetoxytoluene
  • 4-Tolyl acetate
  • NSC 43244
  • NSC 65594

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
CHEBI:View
CHEMBL:View
KEGG (GenomeNet):C01963
HMDB (The Human Metabolome Database):HMDB32075
FooDB:FDB008790
Export Tariff Code:2915.39.3500
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food

PhysChem Properties

Material listed in food chemical codex Yes
Molecular weight 150.17709350586
Specific gravity @ 25 °C
Pounds per Gallon 8.587 to 8.654
Specific gravity @ 20 °C
Pounds per Gallon 8.606 to 8.672
Refractive Index 1.5 to 1.505 @ 20 °C
Boiling Point 208 to 212°C @ 760 mm Hg
Acid Value 1 max KOH/g
Vapor Pressure 1.4665 mmHg @ 20 °C
Flash Point TCC Value 90 °C TCC
logP (o/w) 2.11
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
fixed oils Yes
propylene glycol Yes
water, 1195 mg/L @ 25 °C (est) Yes
glycerin No
water No
Stability
non-discoloring in most media Unspecified

Organoleptic Properties

Odor Type: Floral
narcissus, phenolic, animal
Odor strength high , recommend smelling in a 1.00 % solution or less
Substantivity 36 hour(s) at 10.00 % in dipropylene glycol
Luebke, William tgsc, (1981) At 1.00 % in dipropylene glycol. narcissus phenolic animal
Flavor Type: Aromatic
aromatic, phenolic, fruity, spicy, fried
General comment Aromatic, phenolic fruity; somewhat spicy and fried

Occurrences

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xn - Harmful.
R 22 - Harmful if swallowed.
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 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
Hazards identification
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
Flammable liquids (Category 4), H227
Acute toxicity, Oral (Category 4), H302
Skin irritation (Category 2), H315
Eye irritation (Category 2A), H319
Specific target organ toxicity - single exposure (Category 3), Respiratory system, H335
GHS Label elements, including precautionary statements
Pictogramexclamation-mark.jpg
Signal word Warning
Hazard statement(s)
H227 - Combustible liquid
H302 - Harmful if swallowed
H315 - Causes skin irritation
H319 - Causes serious eye irritation
H335 - May cause respiratory irritation
Precautionary statement(s)
P210 - Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
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.
P271 - Use only outdoors or in a well-ventilated area.
P280 - Wear protective gloves/protective clothing/eye protection/face protection.
P301 + P312 - IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P302 + P352 - IF ON SKIN: wash with plenty of soap and water.
P304 + P340 - IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P305 + P351 + P338 - IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P312 - Call a POISON CENTER or doctor/physician if you feel unwell.
P330 - Rinse mouth.
P332 + P313 - IF SKIN irritation occurs: Get medical advice/attention.
P337 + P313 - IF eye irritation persists: Get medical advice/attention.
P362 - Take off contaminated clothing and wash before reuse.
P370 + P378 - In case of fire: Use dry sand, dry chemical or alcohol-resistant foam for extinction.
P403 + P233 - Store in a well-ventilated place. Keep container tightly closed.
P403 + P235 - Store in a well-ventilated place. Keep cool.
P405 - Store locked up.
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 1900 mg/kg
(Palanker & Denine, 1973)

oral-rat LD50 1900 mg/kg
Food and Cosmetics Toxicology. Vol. 12, Pg. 391, 1974.

Dermal Toxicity:
skin-rabbit LD50 2100 mg/kg
Food and Cosmetics Toxicology. Vol. 12, Pg. 391, 1974.

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 acetate usage levels up to:
1.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.047 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 70.00 (μg/capita/day)
Structure Class: I
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: -4.40000
beverages(nonalcoholic): 0.500001.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: 0.30000220.00000
condiments / relishes: -10.00000
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -1.30000
fruit ices: -1.30000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -4.30000
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

Scientific Opinion on Flavouring Group Evaluation 96 (FGE.96): Consideration of 88 flavouring substances considered by EFSA for which EU production volumes / anticipated production volumes have been submitted on request by DG SANCO. Addendum to FGE. 51, 52, 53, 54, 56, 58, 61, 62, 63, 64, 68, 69, 70, 71, 73, 76, 77, 79, 80, 83, 84, 85 and 87.
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):140-39-6
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :8797
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1993
WGK Germany:2
(4-methylphenyl) acetate
Chemidplus:0000140396
RTECS:AJ7569000 for cas# 140-39-6