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methyl butyl phenyl acetate

Chemical Structure

General Material Information

Preferred name methyl butyl phenyl acetate
Trivial Name Methyl p-tert-butylphenylacetate
Short Description methyl p-tert-butylphenylacetate
Formula C13 H18 O2
CAS Number 3549-23-3
FEMA Number 2690
Flavis Number 9.758
ECHA Number 222-602-4
FDA UNII 8A4H5QO9OJ
Nikkaji Number J216.191E
MDL MFCD00051913
COE Number 577
NMR Predictor External link
JECFA Food Flavoring 1025 methyl p-tert-butylphenylacetate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 3549-23-3 ; METHYL P-TERT-BUTYLPHENYLACETATE
Synonyms
  • acetic acid, (p-t-butylphenyl)-, methyl ester
  • acetic acid, (p-tert-butylphenyl)-, methyl ester
  • 4-(1,1-benzene acetic acid methyl ester
  • benzeneacetic acid, 4-(1,1-dimethylethyl)-, methyl ester
  • (p-tert- butyl phenyl) acetic acid methyl ester
  • (para-tert- butyl phenyl) acetic acid methyl ester
  • 4-tert- butylphenyl acetic acid methyl ester
  • (p-tert- butylphenyl) acetic acid methyl ester
  • (para-tert- butylphenyl) acetic acid methyl ester
  • 4-tert- butylphenylacetic acid methyl ester
  • 4-tert- butylphenylaceticacidmethylester
  • methyl (4-tert-butylphenyl)acetate
  • methyl 2-(4-(tert-butyl)phenyl)acetate
  • methyl 2-(4-tert-butylphenyl)acetate
  • methyl 2-[4-(tert-butyl)phenyl]acetate
  • methyl 4-(1,1-dimethyl ethyl) benzene acetate
  • methyl 4-(1,1-dimethylethyl)benzene acetate
  • methyl 4-(1,1-dimethylethyl)benzeneacetate
  • methyl 4-tert-butyl phenyl acetate
  • methyl 4-tert-butylphenyl acetate
  • methyl 4-tert-butylphenylacetate
  • methyl p-tert-butyl phenylacetate
  • methyl p-tert-butylphenylacetate
  • methyl p-tertbutylphenyl acetate
  • methyl p-tertbutylphenylacetate
  • methyl para tertiary butyl phenyl acetate
  • methyl para-tert-butyl phenyl acetate
  • methyl para-tertiary-butylphenylacetate
  • methyl-p-t-butyl phenyl acetate
  • methyl-p-tert-butyl phenylacetate
  • methyl-para-tert-butyl phenylacetate
  • methylbutyl phenylacetate
  • methylbutylphenyl acetate
  • Methyl 4-tert-butylbenzeneacetate
  • (4-tert-Butylphenyl)acetic acid methyl 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):HMDB36240
FooDB:FDB015098
Export Tariff Code:2916.35.1500
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex Yes
Molecular weight 206.28486633301
Specific gravity @ 20 °C
Pounds per Gallon 8.289 to 8.356
Refractive Index 1.498 to 1.504 @ 20 °C
Boiling Point 106 to 107°C @ 2 mm Hg
Boiling Point 149 to 151°C @ 30 mm Hg
Vapor Pressure 0.008 mmHg @ 25 °C
Vapor Density 7.1
Flash Point TCC Value 110 °C TCC
logP (o/w) 3.654 est
Shelf life 12 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
water, very slightly Yes
water, 15.88 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Dairy
dairy, buttermilk, leafy, creamy, green, waxy, fatty, hyacinth, melon rind, rubbery
Odor strength medium
Substantivity 172 hour(s) at 100.00 %
Luebke, William tgsc, (2021) At 100.00 %. dairy buttermilk leafy creamy green waxy fatty hyacinth melon rind rubbery
Flavor Type: Dairy
dairy, creamy, cheesy, goaty, waxy, green, woody, hyacinth, rubbery
Luebke, William tgsc, (2021) Dairy creamy cheesy goaty waxy green woody hyacinth rubbery
Used in chocolate, cocoa, honey and various fruit flavours for its power and roast chocolate effect, at 0.5 to 2ppm in the finished product. Dairy
General comment Leafy, Honey, Green, Woody

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
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.
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 methyl butyl phenyl acetate usage levels up to:
2.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 17.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 20.00 (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: -2.00000
beverages(nonalcoholic): -0.50000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 0.350001.00000
fruit ices: 0.350001.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -2.00000
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 14 (FGE.14): Phenethyl alcohol, aldehyde, esters, and related phenylacetic acid esters from chemical group 15 (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf

Flavouring Group Evaluation 53 (FGE.53): Consideration of phenethyl alcohol, aldehyde, acid and related acetals and esters evaluated by JECFA (59th meeting) structurally related to phenethyl alcohol, aldehyde, esters and related phenylacetic acid esters evaluated by EFSA in FGE.14 (2005) and one phenoxyethyl ester evaluated in FGE.23 (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

Flavouring Group Evaluation 14, Revision 1 (FGE.14Rev1): Phenethyl alcohol, aldehyde, acetals, carboxylic acid and related esters from chemical group 15 and 22 [1] - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food
View page or View pdf

Flavouring Group Evaluation 53, Revision 1 (FGE.53Rev1): Consideration of phenethyl alcohol, aldehyde, acid and related acetals and esters evaluated by JECFA (59th meeting) FGE.23Rev1 (2008)
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):3549-23-3
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :605629
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
methyl 2-(4-tert-butylphenyl)acetate
Chemidplus:0003549233