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    General Material Information
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phenethyl formate

Chemical Structure

General Material Information

Preferred name phenethyl formate
Trivial Name 2-Phenylethyl formate
Short Description formic acid, 2-phenylethyl ester
Formula C9 H10 O2
CAS Number 104-62-1
FEMA Number 2864
Flavis Number 9.083
ECHA Number 203-220-7
FDA UNII 3X97A637DJ
Nikkaji Number J34.715I
Beilstein Number 2044524
MDL MFCD00021046
COE Number 350
xLogP3-AA 2.10 (est)
Bio Activity Summary External link
NMR Predictor External link
JECFA Food Flavoring 988 phenethyl formate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 104-62-1 ; PHENETHYL FORMATE
Synonyms
  • benzene ethanol formate
  • benzeneethanol, formate
  • benzyl carbinyl formate
  • benzyl carbinyl methanoate
  • benzylcarbinyl formate
  • benzylcarbinyl methanoate
  • formic acid 2-phenethyl ester
  • formic acid 2-phenyl ethyl ester
  • formic acid 2-phenylethyl ester
  • formic acid, 2-phenylethyl ester
  • formic acid, phenethyl ester
  • phenethyl alcohol formate
  • phenethyl alcohol, formate
  • 2-phenethyl formate
  • 2-phenethyl methanoate
  • phenyl ethyl alcohol formate
  • phenyl ethyl formate
  • 2-phenyl ethyl formate
  • beta- phenyl ethyl formate
  • phenyl ethyl formate natural
  • 2-phenyl ethyl methanoate
  • phenylethyl formate
  • 2-phenylethyl formate
  • phenylethyl formate natural
  • 2-phenylethyl methanoate
  • β-Phenylethyl formate
  • 2-Phenylethyl formate
  • 2-Phenethyl formate
  • β-Phenethyl formate
  • NSC 404456

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
CHEBI:View
HMDB (The Human Metabolome Database):HMDB40428
FooDB:FDB020161
Export Tariff Code:2915.13.1000
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 150.17709350586
Specific gravity @ 25 °C
Pounds per Gallon 8.787 to 8.837
Specific gravity @ 20 °C
Pounds per Gallon 8.822 to 8.889
Refractive Index 1.506 to 1.51 @ 20 °C
Acid Value 1 max KOH/g
Vapor Pressure 0.051 mmHg @ 25 °C
Flash Point TCC Value 91.11 °C TCC
logP (o/w) 1.876 est
Solubility
alcohol Yes
water, slightly Yes
water, 1413 mg/L @ 25 °C (est) Yes
water No
Stability
alcoholic lotion Unspecified
antiperspirant Unspecified
bleach Unspecified
deo stick Unspecified
detergent perborate Unspecified
fabric softener Unspecified
liquid detergent Unspecified
shampoo Unspecified

Organoleptic Properties

Odor Type: Floral
rose, green, hyacinth, watercress, herbal
Odor strength medium
Substantivity 68 hour(s) at 100.00 %
Luebke, William tgsc, (1987) At 100.00 %. rose green hyacinth watercress herbal
Flavor Type: Green
green, cortex, watercress, banana unripe banana, narcissus, phenolic
Luebke, William tgsc, (1987) Sweet green cortex watercress unripe banana narcissus phenolic

Occurrences

Potential Uses

Applications
Odor purposes Acorn, Agrumen aldehyde, Aldehydic, Almond blossom, Apple, Crabapple, Ash mountain ash, Autumn, Balsam, Banana, Bark, Bayberry, Blackberry, Blue grass, Bouquet, Boxwood, Carnation, Cedar, Cedar forest, Celery, Cherry, Cherry black cherry, Cherry blossom, Chestnut blossom, Chrysanthemum, Cilantro, Citrus, Clematis, Clover, Coffee, Cognac, Colonia, Coronilla, Country meadow, Crabapple blossom, Croton eluteria bark, Currant, Daffodil, Dahlia, Daisy, Daphne, Eglantine, Evergreen, Fern, Filbert, Flouve, Foliage, Frangipani plumeria, Freesia, Genet, Ginger white ginger, Gooseberry, Grapefruit, Green, Guava, Hay new mown hay, Heather, Herbal, Hyacinth, Hydrangea, Jasmin, Jonquil, Juniper berry, Kewda, Kiwi, Labdanum, Lavender, Leather, Lilac, Lily of the valley, Lychee, Mango, Mango flower, Marjoram, Millefleurs, Narcissus, Ocean sea, Orange bitter orange peel, Orchid, Pear, Pennyroyal, Peony, Pepper tree berry, Peppermint, Petunia, Pine, Pineapple, Pinion, Plum, Plum blossom, Privet, Privet blossom, Prune, Raspberry, Reseda, Rhubarb, Rose, Rose dog rose, Rose geranium, Rose moss rose, Rose white rose, Sherry, Stephanotis, Stephanotis, Sweet grass, Tea green tea, Tobacco, Tuberose, Verbena, Wallflower, Wisteria, Wormwood oil replacer, Yerba mate, Ylang ylang
Flavoring purposes Brandy, Capsicum, Cilantro, Cloudberry bakeapple, Croton eluteria bark, Jackfruit, Marjoram, Orange bitter orange peel, Pear prickly pear, Pennyroyal, Pepper tabasco pepper, Pepper tree berry, Plum greengage plum, Radish, Tea black tea, Walnut, Wasabi, Whiskey, Yerba mate
Other purposes Rose wild rose, Topnotes, Watercress nasturtium, White shoulders
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 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 37/39 - Wear suitable gloves and eye/face protection.
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:
6 % solution: no irritation or sensitization.
Oral/Parenteral Toxicity:
gavage-rat LD50 [sex: M,F] 3220 mg/kg
(Levenstein, 1972c)

oral-rat LD50 3220 mg/kg
Food and Cosmetics Toxicology. Vol. 12, Pg. 959, 1974.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 12, Pg. 959, 1974.

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 formate usage levels up to:
5.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 2.10 (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: -15.00000
beverages(nonalcoholic): -1.30000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -11.00000
fruit ices: -11.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -13.00000
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):104-62-1
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :7711
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
2-phenylethyl formate
Chemidplus:0000104621
RTECS:LQ9400000 for cas# 104-62-1