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butyl phenyl acetate

Chemical Structure

General Material Information

Preferred name butyl phenyl acetate
Trivial Name Butyl phenylacetate
Short Description butyl phenylacetate
Formula C12 H16 O2
CAS Number 122-43-0
FEMA Number 2209
Flavis Number 9.787
ECHA Number 204-543-6
FDA UNII TR6RZ109SI
Nikkaji Number J74.784J
Beilstein Number 2046682
MDL MFCD00048774
COE Number 2159
NMR Predictor External link
JECFA Food Flavoring 1012 butyl phenylacetate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 122-43-0 ; BUTYL PHENYLACETATE
Synonyms
  • acetic acid, phenyl-, butyl ester
  • benzene acetic acid butyl ester
  • benzeneacetic acid butyl ester
  • benzeneacetic acid, butyl ester
  • butyl 2-phenylacetate
  • butyl 2-phenylethanoate
  • butyl a-toluate
  • butyl alpha-toluate
  • butyl benzene acetate
  • butyl benzeneacetate
  • N- butyl phenyl acetate
  • butyl phenyl ethanoate
  • butyl phenylacetate
  • N- butyl phenylacetate
  • butyl phenylacetate FCC
  • butyl phenylethanoate
  • butyl-phenylacetate FCC
  • phenyl acetic acid butyl ester
  • phenyl ethanoic acid butyl ester
  • phenylacetic acid butyl ester
  • 2-phenylacetic acid butyl ester
  • phenylethanoic acid butyl ester

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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Perfumer & Flavorists Start search
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Literature & References

butyl 2-phenylacetate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:122-43-0
Pubchem (cid):31210
Pubchem (sid):134973882
Publications by PubMed
Changes in volatile compound composition of Antrodia camphorata during solid state fermentation.
Synthesis of flavor and fragrance esters using Candida antarctica lipase.

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):HMDB40427
FooDB:FDB020160
Export Tariff Code:2916.35.1500
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex Yes
Molecular weight 192.25791931152
Specific gravity @ 25 °C
Pounds per Gallon 8.238 to 8.296
Refractive Index 1.486 to 1.493 @ 20 °C
Boiling Point 133 to 135°C @ 15 mm Hg
Boiling Point 258 to 260°C @ 760 mm Hg
Acid Value 1 max KOH/g
Vapor Pressure 0.011 mmHg @ 25 °C
Flash Point TCC Value 110 °C TCC
logP (o/w) 3.439 est
Solubility
alcohol Yes
water, 44.15 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Honey
rose, honey, chocolate, sweet, floral, cocoa, hay
Odor strength medium
Substantivity 348 hour(s) at 100.00 %
Luebke, William tgsc, (1988) At 100.00 %. rose honey chocolate
Mosciano, Gerard P&F 17, No. 4, 33, (1992) Honey, sweet, floral, cocoa and hay-like
Flavor Type: Honey
honey, sweet, chocolate, floral, rose
Mosciano, Gerard P&F 17, No. 4, 33, (1992) At 5.00 ppm. Honey, sweet, chocolate, floral and rose-like

Occurrences

Potential Uses

Applications
Odor purposes Balsam, Carnation, Chocolate, Civet, Clover, Fern, Fruit, Hay new mown hay, Honey, Hyacinth, Maple, Narcissus, Orchid, Oriental, Rose, Tobacco, Woody
Flavoring purposes Chocolate cocoa, Tea
Other purposes Depth, Ideal
Cosmetic purposes Perfuming agents

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 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:
12 % solution: no irritation or sensitization.
Oral/Parenteral Toxicity:
oral-rat LD50 > 5000 mg/kg
(Moreno, 1980i)

oral-rat LD50 > 5000 mg/kg
Food and Chemical Toxicology. Vol. 21, Pg. 657, 1983.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Chemical Toxicology. Vol. 21, Pg. 657, 1983.

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 butyl phenyl acetate usage levels up to:
12.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 2.40 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 3.00 (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: -4.60000
beverages(nonalcoholic): -0.50000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -2.10000
fruit ices: -2.10000
gelatins / puddings: -5.00000
granulated sugar: --
gravies: --
hard candy: -4.50000
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):122-43-0
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :31210
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
butyl 2-phenylacetate
Chemidplus:0000122430
RTECS:AJ2480000 for cas# 122-43-0