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hexyl phenyl acetate

Chemical Structure

General Material Information

Preferred name hexyl phenyl acetate
Trivial Name Hexyl phenylacetate
Short Description hexyl phenylacetate
Formula C14 H20 O2
CAS Number 5421-17-0
FEMA Number 3457
Flavis Number 9.804
ECHA Number 226-537-2
FDA UNII 9OMY0L6TTU
Nikkaji Number J184.048G
MDL MFCD00085196
COE Number 10694
Bio Activity Summary External link
NMR Predictor External link
JECFA Food Flavoring 1015 hexyl phenylacetate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 5421-17-0 ; HEXYL PHENYLACETATE
Synonyms
  • acetic acid, phenyl-, hexyl ester
  • benzene acetic acid hexyl ester
  • benzeneacetic acid, hexyl ester
  • hexyl 2-phenylacetate
  • hexyl a-toluate
  • hexyl alpha-toluate
  • hexyl benzene acetate
  • hexyl benzeneacetate
  • N- hexyl phenyl acetate
  • hexyl phenyl acetate natural
  • hexyl phenylacetate
  • N- hexyl phenylacetate
  • hexyl-phenylacetate
  • phenyl acetic acid hexyl ester
  • n-Hexyl phenylacetate
  • NSC 6652

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):HMDB37714
FooDB:FDB016842
Export Tariff Code:2916.35.1500
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 220.3117980957
Specific gravity @ 25 °C
Pounds per Gallon
Boiling Point 262 to 265°C @ 760 mm Hg
Vapor Pressure 0.001 mmHg @ 25 °C
Vapor Density 7.5
Flash Point TCC Value 100 °C TCC
logP (o/w) 4.458 est
Solubility
alcohol Yes
water, 4.582 mg/L @ 25 °C (est) Yes
water No
Stability
cream Unspecified
hair spray Unspecified
lotion Unspecified
non-discoloring in most media Unspecified
powder Unspecified
soap Unspecified

Organoleptic Properties

Odor Type: Green
sweet, green, waxy, fruity, rose, winey, foliage, floral, powdery, honey
General comment At 100.00 %. sweet green waxy fruity rose wine foliage
Mosciano, Gerard P&F 20, No. 3, 63, (1995) Sweet, green, waxy, floral and fruity with a slight powdery, honey nuance
Flavor Type: Fruity
fruity, waxy, green, powdery, floral, sweet, honey
Mosciano, Gerard P&F 20, No. 3, 63, (1995) At 15.00 ppm. Fruity, waxy, green, powdery and floral with sweet honey nuances

Occurrences

Potential Uses

Applications
Odor purposes Acacia, Floral, Foliage, Grape, Honey, Mint, Powder, Reseda, Tuberose, Violet leaf
Flavoring purposes Chocolate cocoa, Tea

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 hexyl phenyl acetate usage levels up to:
5.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 6.90 (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: 9
Click here to view publication 9
average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): -2.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: -3.00000
egg products: --
fats / oils: --
fish products: --
frozen dairy: -3.00000
fruit ices: -3.00000
gelatins / puddings: -2.00000
granulated sugar: --
gravies: --
hard candy: --
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):5421-17-0
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :221691
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
hexyl 2-phenylacetate
Chemidplus:0005421170