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3-phenyl propyl formate
3-phenylpropyl formate

Supplier Sponsors

Name:3-phenylpropyl formate
CAS Number: 104-64-3Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:203-222-8
FDA UNII:6R8500G08Y
Nikkaji Web:J35.484H
Beilstein Number:2501915
CoE Number:351
XlogP3:2.90 (est)
Molecular Weight:164.20404000
Formula:C10 H12 O2
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
Category:flavor and fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
JECFA Food Flavoring:637 3-phenylpropyl formate
FLAVIS Number:09.084 (Old)
DG SANTE Food Flavourings:09.084 3-phenylpropyl formate
FEMA Number:2895 3-phenylpropyl formate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):104-64-3 ; 3-PHENYLPROPYL FORMATE
FDA Regulation:
FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION
Subpart F--Flavoring Agents and Related Substances
Sec. 172.515 Synthetic flavoring substances and adjuvants.
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 97.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 238.00 °C. @ 760.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure:0.077000 mmHg @ 25.00 °C. (est)
Flash Point: 214.00 °F. TCC ( 101.11 °C. )
logP (o/w): 2.387 (est)
Soluble in:
 alcohol
 water, 465 mg/L @ 25 °C (est)
Insoluble in:
 water
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(E)-3-hexen-1-yl formate
3-hexen-1-yl formate
(Z)-3-hexen-1-yl formate
hexyl formate
linalyl formate
menthadienyl formate
menthyl formate
laevo-menthyl formate
2-methyl butyl formate
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nonyl formate
nopyl formate
octyl formate
3-octyl formate
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prenyl formate
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rhodinyl formate
styralyl formate
sulfuryl formate
terpinyl formate
 
Organoleptic Properties:
Odor Type: floral
Odor Strength:medium
sweet floral honey hyacinth cinnamon
Odor Description:at 100.00 %. sweet floral honey hyacinth cinnamon
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
Alfrebro
3-PHENYL PROPYL FORMATE NATURAL
Odor: Sweet, Floral, Honey, Cinnamon
BOC Sciences
For experimental / research use only.
3-Phenylpropyl Formate
Parchem
3-phenyl propyl formate
Penta International
3-PHENYLPROPYL FORMATE, Kosher
 
Safety Information:
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.
Human Experience:
8 % solution: no irritation or sensitization.
Oral/Parenteral Toxicity:
oral-rat LD50 4090 mg/kg
Value in ul/kg bw, confidence limits of 3490-4780 ul/kg bw, 3 dose groups of 10 animals, only summary available.
(Levenstein, 1975e)

oral-rat LD50 4090 mg/kg
Food and Cosmetics Toxicology. Vol. 14, Pg. 835, 1976.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for 3-phenyl propyl formate usage levels up to:
  3.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.80 (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
 average usual ppmaverage maximum ppm
baked goods: -2.70000
beverages(nonalcoholic): -1.30000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 0.900001.50000
fruit ices: 0.900001.50000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: 3.000005.00000
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 15 (FGE.15): Aryl-substituted saturated and unsaturated primary alcohol/aldehyde/acid/ester derivatives from chemical group 22 (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf

Flavouring Group Evaluation 15, Revision 1 (FGE.15Rev1) - Aryl-substituted saturated and unsaturated primary alcohol/aldehyde/acid/ester derivatives from chemical group 22 - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 68 (FGE.68): Consideration of cinnamyl alcohol and related flavouring agents evaluated by JECFA (55th meeting) evaluated by EFSA in FGE.15Rev1 (2008)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 96 (FGE.96): Consideration of 88 flavouring substances considered by EFSA for which EU production volumes / anticipated production volumes have been submitted on request by DG SANCO. Addendum to FGE. 51, 52, 53, 54, 56, 58, 61, 62, 63, 64, 68, 69, 70, 71, 73, 76, 77, 79, 80, 83, 84, 85 and 87.
View page or View pdf

EPI System: View
EPA Substance Registry Services (TSCA):104-64-3
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :61010
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
3-phenylpropyl formate
Chemidplus:0000104643
 
References:
 3-phenylpropyl formate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:104-64-3
Pubchem (cid):61010
Pubchem (sid):135018156
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (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):HMDB34471
FooDB:FDB012881
Export Tariff Code:2915.13.0000
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
aldehydic
muguet undecadienal
FR
animal
para-
cresyl phenyl acetate
FL/FR
balsamic
3-
phenyl propyl alcohol
FL/FR
chocolate
iso
butyl phenyl acetate
FL/FR
cocoa pentenal
FL/FR
tetrahydrofurfuryl phenyl acetate
FL/FR
fermented
hexanal diethyl acetal
FL/FR
floral
decyl formate
FR
ethyl hydrocinnamate
FL/FR
ethyl phenyl acetate
FL/FR
genet concrete
FR
honeysuckle absolute
FR
hyacinth acetals
FL/FR
hyacinth ether
FR
kewda fragrance
FR
kewda oil
CS
linden flower absolute
FR
narcissus specialty
FR
phenethyl benzoate
FL/FR
phenethyl hexanoate
FL/FR
phenethyl phenyl acetate
FL/FR
phenyl acetaldehyde / methyl anthranilate schiff's base
FR
2-
phenyl propyl acetate
FL/FR
(R)-2-
phenyl propyl alcohol
FL/FR
iso
propyl anthranilate
FL/FR
iso
propyl phenyl acetate
FL/FR
reseda acetal
FR
rhodinyl phenyl acetate
FL/FR
tea acetate
FR
tilia cordata flower oil CO2 extract
FR
fruity
benzyl methyl ether
FL/FR
strawberry glycidate 1 (aldehyde C-16 (so-called))
FL/FR
strawberry glycidate 2
FL/FR
green
acetaldehyde ethyl phenethyl acetal
FL/FR
hyacinth absolute
FL/FR
4-
methyl-4-phenyl pentanone
FR
phenethyl oxyacetaldehyde
FR
phenoxyethyl isobutyrate
FL/FR
phenyl acetaldehyde ethylene glycol acetal
FR
herbal
methyl ortho-anisate
FL/FR
honey
methyl phenyl acetate
FL/FR
phenyl acetic acid
FL/FR
propyl phenyl acetate
FL/FR
musty
cocoa butenal
FL/FR
powdery
para-
anisyl alcohol
FL/FR
spicy
iso
eugenyl phenyl acetate
FL/FR
honey extract
CS
woody
santalyl phenyl acetate
FL/FR
For Flavor
No flavor group found for these
1-
acetyl cyclohexyl acetate
FL
ethyl hydrocinnamate
FL/FR
hexanal diethyl acetal
FL/FR
hyacinth absolute
FL/FR
methyl ortho-anisate
FL/FR
2-
phenyl propyl acetate
FL/FR
(R)-2-
phenyl propyl alcohol
FL/FR
iso
propyl anthranilate
FL/FR
santalyl phenyl acetate
FL/FR
tetrahydrofurfuryl phenyl acetate
FL/FR
aromatic
aromatic
hyacinth acetals
FL/FR
cocoa
iso
butyl phenyl acetate
FL/FR
floral
cocoa pentenal
FL/FR
methyl phenyl acetate
FL/FR
phenethyl benzoate
FL/FR
phenyl acetic acid
FL/FR
fruity
para-
anisyl alcohol
FL/FR
benzyl methyl ether
FL/FR
methyl 4-phenyl butyrate
FL
strawberry glycidate 1 (aldehyde C-16 (so-called))
FL/FR
strawberry glycidate 2
FL/FR
green
acetaldehyde ethyl phenethyl acetal
FL/FR
cocoa butenal
FL/FR
phenoxyethyl isobutyrate
FL/FR
honey
ethyl phenyl acetate
FL/FR
phenethyl phenyl acetate
FL/FR
propyl phenyl acetate
FL/FR
iso
propyl phenyl acetate
FL/FR
phenolic
para-
cresyl phenyl acetate
FL/FR
sour
2,4-
dimethyl-2-pentenoic acid
FL
spicy
iso
eugenyl phenyl acetate
FL/FR
3-
phenyl propyl alcohol
FL/FR
waxy
phenethyl hexanoate
FL/FR
rhodinyl phenyl acetate
FL/FR
 
Potential Uses:
FRcinnamon
FRgeranium
FRhyacinth
FRnarcissus
 
Occurrence (nature, food, other):note
 found in nature
 michelia champaca concrete @ 0.05%
Data GC Search Trop Picture
 
Synonyms:
 benzene propanol formate
 benzenepropanol formate
 benzenepropanol, formate
 hydrocinnamyl formate
 hydrocinnamyl methanoate
 phenyl propyl formate
3-phenyl propyl formate
beta-phenyl propyl formate
3-phenyl propyl methanoate
3-phenyl-1-propyl formate
1-phenyl-3-formyloxypropane
3-phenylpropyl formate
3-phenylpropyl methanoate
1-propanol, 3-phenyl-, formate
 
 
Notes:
Used in food flavouring
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