3-phenyl propyl formate
3-phenylpropyl formate
 
Notes:
Used in food flavouring
  • Alfrebro
    • Alfrebro LLC
      Let's get reacquainted
      Building great taste with aroma chemicals, extracts, and distillates
      The Alfrebro brand was established in the early 1900s by Alex Fries & Brothers, a Cincinnati Flavor Company. In 1980, the brand was re-launched as an aroma chemical manufacturer. Since its inception, Alfrebro’s primary focus has been to provide quality natural and high value synthetic chemicals.
      Email: Sarah Forbis
      Email: Sales
      Voice: 513-539-3021
      Fax: 513-539-7372
      US Voice: 513-539-7373
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      Product(s):
      3-PHENYL PROPYL FORMATE NATURAL
       
  • Penta International
    • Penta International Corporation
      Chemistry innovation
      At Penta, our products and services help businesses do business better.
      For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes.
      US Email: Technical Services
      US Email: Sales
      US Voice: (973) 740-2300
      US Fax: (973) 740-1839
      Product(s):
      16-46600 3-PHENYLPROPYL FORMATE
       
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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.
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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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allyl formate
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bornyl formate
isobornyl formate
butyl formate
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sec-butyl formate
carvyl formate
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citronellyl formate
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ethyl formate
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furfuryl formate
S-furfuryl thioformate
geranyl formate
heptyl formate
(E)-2-hexen-1-yl formate
(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
methyl formate
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nonisyl formate
nonyl formate
nopyl formate
octyl formate
3-octyl formate
phenethyl formate
2-phenoxyethyl formate
prenyl formate
propyl formate
isopropyl formate
isopulegyl formate
rhodinyl formate
styralyl formate
sulfuryl formate
terpinyl formate
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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).
 
 
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
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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
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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
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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
Click here to view publication 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: --
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Safety References:
Flavor & Extract Manufacturers Association (FEMA) reference(s):
The FEMA GRAS assessment of cinnamyl derivatives used as flavor ingredients. View pdf
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
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References:
 3-phenylpropyl formate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 104-64-3
Pubchem (cid): 61010
Pubchem (sid): 135018156
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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
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Potential Blenders and core components note
 
For Odor
aldehydic
aldehydic
 muguet undecadienalFR
animal
para-cresyl phenyl acetateFL/FR
balsamic
3-phenyl propyl alcoholFL/FR
chocolate
isobutyl phenyl acetateFL/FR
 cocoa pentenalFL/FR
 tetrahydrofurfuryl phenyl acetateFL/FR
fermented
 hexanal diethyl acetalFL/FR
 decyl formateFR
 ethyl hydrocinnamateFL/FR
 ethyl phenyl acetateFL/FR
 genet concreteFR
 honeysuckle absoluteFR
 hyacinth acetalsFL/FR
 hyacinth etherFR
 kewda absolute 
 kewda fragranceFR
 kewda oilCS
 linden flower absoluteFR
 narcissus specialtyFR
 phenethyl benzoateFL/FR
 phenethyl hexanoateFL/FR
 phenethyl phenyl acetateFL/FR
 phenyl acetaldehyde / methyl anthranilate schiff's baseFR
2-phenyl propyl acetateFL/FR
(R)-2-phenyl propyl alcoholFL/FR
isopropyl anthranilateFL/FR
isopropyl phenyl acetateFL/FR
 reseda acetalFR
 rhodinyl phenyl acetateFL/FR
 tea acetateFR
 tilia cordata flower oil CO2 extractFR
fruity
 benzyl methyl etherFL/FR
 strawberry glycidate 1 (aldehyde C-16 (so-called))FL/FR
 strawberry glycidate 2FL/FR
green
 acetaldehyde ethyl phenethyl acetalFL/FR
 hyacinth absoluteFL/FR
4-methyl-4-phenyl pentanoneFR
 phenethyl oxyacetaldehydeFR
 phenoxyethyl isobutyrateFL/FR
 phenyl acetaldehyde ethylene glycol acetalFR
herbal
 methyl ortho-anisateFL/FR
honey
 methyl phenyl acetateFL/FR
 phenyl acetic acidFL/FR
 propyl phenyl acetateFL/FR
musty
 cocoa butenalFL/FR
powdery
para-anisyl alcoholFL/FR
spicy
isoeugenyl phenyl acetateFL/FR
 honey extractCS
woody
 santalyl phenyl acetateFL/FR
 
For Flavor
 
No flavor group found for these
1-acetyl cyclohexyl acetateFL
 ethyl hydrocinnamateFL/FR
 hexanal diethyl acetalFL/FR
 hyacinth absoluteFL/FR
 kewda absolute 
 methyl ortho-anisateFL/FR
2-phenyl propyl acetateFL/FR
(R)-2-phenyl propyl alcoholFL/FR
isopropyl anthranilateFL/FR
 santalyl phenyl acetateFL/FR
 tetrahydrofurfuryl phenyl acetateFL/FR
aromatic
 hyacinth acetalsFL/FR
cocoa
isobutyl phenyl acetateFL/FR
floral
 cocoa pentenalFL/FR
 methyl phenyl acetateFL/FR
 phenethyl benzoateFL/FR
 phenyl acetic acidFL/FR
fruity
para-anisyl alcoholFL/FR
 benzyl methyl etherFL/FR
 methyl 4-phenyl butyrateFL
 strawberry glycidate 1 (aldehyde C-16 (so-called))FL/FR
 strawberry glycidate 2FL/FR
green
 acetaldehyde ethyl phenethyl acetalFL/FR
 cocoa butenalFL/FR
 phenoxyethyl isobutyrateFL/FR
honey
 ethyl phenyl acetateFL/FR
 phenethyl phenyl acetateFL/FR
isopropyl phenyl acetateFL/FR
 propyl phenyl acetateFL/FR
phenolic
para-cresyl phenyl acetateFL/FR
sour
2,4-dimethyl-2-pentenoic acidFL
spicy
isoeugenyl phenyl acetateFL/FR
3-phenyl propyl alcoholFL/FR
waxy
 phenethyl hexanoateFL/FR
 rhodinyl phenyl acetateFL/FR
 
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Potential Uses:
 cinnamonFR
 geraniumFR
 hyacinthFR
 narcissusFR
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Occurrence (nature, food, other): note
 found in nature
 michelia champaca concrete @ 0.05%
Data  GC  Search Trop  Picture
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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
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