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isoamyl phenyl acetate

Chemical Structure

General Material Information

Preferred name isoamyl phenyl acetate
Trivial Name Isoamyl phenylacetate
Short Description isopentyl phenylacetate
Formula C13 H18 O2
CAS Number 102-19-2
FEMA Number 2081
Flavis Number 9.789
ECHA Number 203-012-6
FDA UNII E5RHQ50DDC
Nikkaji Number J2.847I
Beilstein Number 1951778
MDL MFCD00026517
COE Number 2161
Bio Activity Summary External link
NMR Predictor External link
JECFA Food Flavoring 1014 isoamyl phenylacetate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 102-19-2 ; ISOAMYL PHENYLACETATE
Synonyms
  • acetic acid, phenyl-, isopentyl ester
  • iso amyl a-toluate
  • iso amyl alpha-toluate
  • iso amyl phenyl acetate natural
  • iso amyl phenylacetate
  • iso- amyl-phenylacetate FCC
  • benzene acetic acid 3-methyl butyl ester
  • benzeneacetic acid 3-methylbutyl ester
  • benzeneacetic acid, 3-methylbutyl ester
  • 3-methyl butyl 2-phenylacetate
  • 3-methyl butyl benzene acetate
  • 3-methyl butyl phenyl acetate
  • 3-methylbutyl 2-phenylacetate
  • 3-methylbutyl benzeneacetate
  • 3-methylbutyl phenylacetate
  • 3-methylbutylbenzene acetate
  • iso pentyl phenyl acetate
  • iso pentyl phenylacetate
  • phenyl acetic acid isopentyl ester
  • phenylacetic acid isoamyl ester
  • phenylacetic acid, isopentyl ester
  • 3-methylbutyl 2-phenylacetate
  • Isopentyl alcohol, phenylacetate
  • Isoamyl phenylacetate
  • Isopentyl phenylacetate
  • NSC 60582
  • 3-Methylbutyl phenylacetate

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):HMDB35008
FooDB:FDB013612
Export Tariff Code:2915.90.2000
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex Yes
Molecular weight 206.28486633301
Specific gravity @ 25 °C
Pounds per Gallon 8.096 to 8.163
Refractive Index 1.483 to 1.488 @ 20 °C
Boiling Point 265 to 266°C @ 723 mm Hg
Acid Value 1 max KOH/g
Vapor Pressure 0.005 mmHg @ 25 °C
Vapor Density 7.1
Flash Point TCC Value 103.3 °C TCC
logP (o/w) 3.87
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
paraffin oil Yes
water, 16.47 mg/L @ 25 °C (est) Yes
water No
Stability
acid cleaner Unspecified
antiperspirant Unspecified
bleach Unspecified
cream Unspecified
deo stick Unspecified
detergent Unspecified
detergent perborate Unspecified
hair spray Unspecified
hard surface cleaner Unspecified
non-discoloring in most media Unspecified
shampoo Unspecified
soap Unspecified

Organoleptic Properties

Odor Type: Chocolate
sweet, honey, cocoa, balsamic, chocolate, castoreum, animal, rose, floral
Odor strength medium , recommend smelling in a 10.00 % solution or less
Substantivity 172 hour(s) at 100.00 %
Luebke, William tgsc, (1985) At 10.00 % in dipropylene glycol. sweet honey cocoa balsam chocolate castoreum animal
Mosciano, Gerard P&F 25, No. 4, 71, (2000) At 1.00 %. Sweet, Honey, chocolate with a rosy floral nuance
Flavor Type: Floral
warm, rose, honey, phenolic, chocolate, fruit dried fruit
Mosciano, Gerard P&F 25, No. 4, 71, (2000) At 5.00 - 10.00 ppm. Warm rosy honey with phenyl chocolate nuances and dried fruit notes
General comment Sweet aromatic, honey and cocoa note

Occurrences

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)
Skin irritation (Category 2), H315
GHS Label elements, including precautionary statements
Pictogramexclamation-mark.jpg
Signal word Warning
Hazard statement(s)
H315 - Causes skin irritation
Precautionary statement(s)
P264 - Wash skin thouroughly after handling.
P280 - Wear protective gloves/protective clothing/eye protection/face protection.
P302 + P352 - IF ON SKIN: wash with plenty of soap and water.
P321 - Specific treatment (see supplemental first aid instructions on this label).
P332 + P313 - IF SKIN irritation occurs: Get medical advice/attention.
P362 - Take off contaminated clothing and wash before reuse.
Oral/Parenteral Toxicity:
oral-rat LD50 > 5000 mg/kg
(Moreno, 1976m)

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 isoamyl phenyl acetate usage levels up to:
5.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 28.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 30.00 (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: -14.00000
beverages(nonalcoholic): -5.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -16.00000
fruit ices: -16.00000
gelatins / puddings: 0.150003.40000
granulated sugar: --
gravies: --
hard candy: -12.00000
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 55 (FGE.55): Consideration of phenyl-substituted aliphatic alcohols and related aldehydes and esters evaluated by JECFA (63rd meeting) structurally related to phenethyl alcohol, aldehyde, esters and related phenylacetic acid esters evaluated by EFSA in FGE.14 (2005) and aryl-substituted saturated and unsaturated primary alcohol/aldehyde/acid/ester derivatives evaluated by EFSA in FGE.15 (2005) (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 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):102-19-2
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :7600
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
3-methylbutyl 2-phenylacetate
Chemidplus:0000102192
RTECS:AJ2945000 for cas# 102-19-2