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    General Material Information
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phenethyl hexanoate

Chemical Structure

General Material Information

Preferred name phenethyl hexanoate
Trivial Name Phenylethyl hexanoate
Short Description phenylethyl caproate
Formula C14 H20 O2
CAS Number 6290-37-5
FEMA Number 3221
Flavis Number 9.261
ECHA Number 228-538-3
FDA UNII X7R57M68KR
Nikkaji Number J155.068C
MDL MFCD00027279
COE Number 10882
NMR Predictor External link
JECFA Food Flavoring 995 phenethyl hexanoate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 6290-37-5 ; PHENETHYL HEXANOATE
Synonyms
  • benzyl carbinyl caproate
  • benzyl carbinyl hexanoate
  • benzylcarbinyl caproate
  • benzylcarbinyl hexanoate
  • hexanoic acid 2-phenylethyl ester
  • hexanoic acid phenethyl ester
  • hexanoic acid phenyl ethyl ester
  • hexanoic acid, 2-phenylethyl ester
  • hexanoic acid, phenethyl ester
  • phenethyl caproate
  • phenethyl caproate natural
  • 2-phenethyl hexanoate
  • 2-phenyl ethyl caproate
  • phenyl ethyl caproate natural
  • phenyl ethyl hexanoate
  • 2-phenyl ethyl hexanoate
  • phenylethyl caproate
  • 2-phenylethyl caproate
  • phenylethyl caproate, natural
  • 2-phenylethyl hexanoate
  • phenylethyl hexanoate (caproate)
  • 2-phenylethyl hexanoate
  • 2-Phenethyl hexanoate
  • 2-Phenylethyl caproate
  • Phenylethyl hexanoate
  • NSC 6651

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):HMDB37718
FooDB:FDB016847
Typical G.C.
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
Vapor Pressure 0.001 mmHg @ 25 °C
Flash Point TCC Value 100 °C TCC
logP (o/w) 4.336 est
Solubility
alcohol Yes
water, 4.582 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Floral
sweet, honey, floral, waxy, woody, sweaty, green, banana, pineapple
Luebke, William tgsc, (2007) At 100.00 %. sweet honey floral waxy woody sweaty green banana pineapple
Mosciano, Gerard P&F 15, No. 1, 19, (1990) Sweet, honey, floral, waxy with woody and sweaty nuances
Flavor Type: Waxy
sweet, waxy, floral, fruity
Mosciano, Gerard P&F 15, No. 1, 19, (1990) At 50.00 ppm. Sweet, waxy, floral with fruity notes

Occurrences

Potential Uses

Applications
Odor purposes Apple, Banana, Green, Pineapple, Rose
Flavoring purposes Fermented, Vegetable

Safety Information

Safety information

Preferred SDS: View
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 phenethyl hexanoate usage levels up to:
8.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 12.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 2.00 (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: 4
Click here to view publication 4
average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): -8.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
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):6290-37-5
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :61384
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
2-phenylethyl hexanoate
Chemidplus:0006290375