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3-phenyl propyl formate

Chemical Structure

General Material Information

Preferred name 3-phenyl propyl formate
Trivial Name Benzenepropanol, 1-formate
Short Description 3-phenylpropyl formate
Formula C10 H12 O2
CAS Number 104-64-3
FEMA Number 2895
Flavis Number 9.084
ECHA Number 203-222-8
FDA UNII 6R8500G08Y
Nikkaji Number J35.484H
Beilstein Number 2501915
COE Number 351
Bio Activity Summary External link
NMR Predictor External link
JECFA Food Flavoring 637 3-phenylpropyl formate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 104-64-3 ; 3-PHENYLPROPYL FORMATE
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
  • 3-phenylpropyl formate
  • Benzenepropanol, 1-formate
  • 1-Propanol, 3-phenyl-, formate
  • γ-Phenylpropylformate
  • 1-Phenyl-3-formyloxypropane
  • 3-Phenyl-1-propanol formate
  • NSC 6010

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):HMDB34471
FooDB:FDB012881
Export Tariff Code:2915.13.0000
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 164.20404052734
Acid Value 1 max KOH/g
Vapor Pressure 0.077 mmHg @ 25 °C
Flash Point TCC Value 101.11 °C TCC
logP (o/w) 2.387 est
Solubility
alcohol Yes
water, 465 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Floral
sweet, floral, honey, hyacinth, cinnamon
General comment At 100.00 %. sweet floral honey hyacinth cinnamon

Occurrences

Potential Uses

Applications
Odor purposes Cinnamon, Geranium, Hyacinth, Narcissus
Cosmetic purposes Perfuming agents

Safety Information

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
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
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: --

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
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
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