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isopropyl phenyl acetate

Chemical Structure

General Material Information

Preferred name isopropyl phenyl acetate
Trivial Name Isopropyl phenylacetate
Short Description isopropyl phenylacetate
Formula C11 H14 O2
CAS Number 4861-85-2
FEMA Number 2956
Flavis Number 9.786
ECHA Number 225-468-5
FDA UNII A8L7NAJ0YO
Nikkaji Number J260.915K
MDL MFCD00051546
COE Number 2158
Bio Activity Summary External link
NMR Predictor External link
JECFA Food Flavoring 1011 isopropyl phenylacetate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 4861-85-2 ; ISOPROPYL PHENYLACETATE
Synonyms
  • acetic acid, phenyl-, isopropyl ester
  • benzene acetic acid 1-methyl ethyl ester
  • benzeneacetic acid 1-methylethyl ester
  • benzeneacetic acid, 1-methylethyl ester
  • 1-methyl ethyl benzene acetate
  • 1-methylethyl benzeneacetate
  • 1-methylethylbenzene acetate
  • phenyl acetic acid isopropyl ester
  • phenylacetic acid isopropyl ester
  • propan-2-yl 2-phenylacetate
  • propan-2-yl phenylacetate
  • iso propyl a-toluate
  • iso propyl alpha-toluate
  • iso propyl phenylacetate
  • Isopropyl phenylacetate
  • Isopropyl benzeneacetate
  • 1-Methylethyl 2-phenylethanoate

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):HMDB40426
FooDB:FDB020159
Export Tariff Code:2916.35.1500
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 178.23098754883
Specific gravity @ 25 °C
Pounds per Gallon
Boiling Point 157 to 165°C @ 12 mm Hg
Boiling Point 238 to 253°C @ 760 mm Hg
Vapor Pressure 0.044 mmHg @ 25 °C
Flash Point TCC Value 107.22 °C TCC
logP (o/w) 2.774 est
Solubility
alcohol Yes
water, 157.2 mg/L @ 25 °C (est) Yes
water No
Stability
cream Unspecified
hair spray Unspecified
lipstick Unspecified
lotion Unspecified
non-discoloring in most media Unspecified
powder Unspecified
soap Unspecified

Organoleptic Properties

Odor Type: Floral
sweet, honeysuckle, powdery, cortex, honey, floral, rose
General comment At 100.00 %. sweet honeysuckle powdery viney
Mosciano, Gerard P&F 26, No. 3, 80, (2001) At 1.00 %. sweet, honey, floral, with a rose-like nuance
Flavor Type: Honey
sweet, honey, floral, fermented, balsamic
Mosciano, Gerard P&F 26, No. 3, 80, (2001) At 1.00 - 5.00 ppm. sweet, honey, floral with a fermented balsamic nuance

Potential Uses

Applications
Odor purposes Apricot, Berry, Honey, Honeysuckle, Hyacinth, Lilac, Lily, Rose, Rose d'orient
Flavoring purposes Caramel, Tea
Cosmetic purposes Perfuming agents

Safety Information

Safety information

European information :
Most important hazard(s):
None - None found.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
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 isopropyl phenyl acetate usage levels up to:
8.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.061 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): ND (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: 3.000008.00000
beverages(nonalcoholic): 0.200000.50000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -1.80000
fruit ices: -1.80000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: 0.500008.00000
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):4861-85-2
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :62553
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
propan-2-yl 2-phenylacetate
Chemidplus:0004861852
EPA/NOAA CAMEO:hazardous materials