We have found 46587 results matching your criteria.
Please wait while we search...
  1. 1.
    General Material Information
  2. 2.
    PhysChem Properties
  3. 3.
    Occurrences
  4. 4.
    Organoleptic Properties
  5. 5.
    Suppliers
  6. 6.
    Potential Uses
  7. 7.
    Regulatory & Documentation
  8. 8.
    Safety Information
  9. 9.
    Other Information
  10. 10.
    Blenders & Components
  11. 11.
    Literature & References

isopropyl cinnamate

General Material Information

Preferred name isopropyl cinnamate
Trivial Name propan-2-yl 3-phenylprop-2-enoate
Short Description 1-methylethyl 3-phenylpropenoate
Formula C12 H14 O2
CAS Number 7780-06-5
CAS Number 60512-85-8
CAS Number 7780-06-5 (Z)
FEMA Number 2939
ECHA Number 231-949-0
FDA UNII Search
Nikkaji Number J260.922C
Beilstein Number 1908938
MDL MFCD00048292
COE Number 325
NMR Predictor External link
JECFA Food Flavoring 661 isopropyl cinnamate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 7780-06-5 ; ISOPROPYL CINNAMATE
Synonyms
  • cinnamic acid isopropyl ester
  • 1-methyl ethyl 3-phenyl propenoate
  • 1-methyl ethyl 3-phenyl-2-propenoate
  • 1-methylethyl 3-phenyl-2-propenoate
  • 1-methylethyl 3-phenylpropenoate
  • 3-phenyl-2-propenoic acid 1-methyl ethyl ester
  • 3-phenyl-2-propenoic acid 1-methylethyl ester
  • propan-2-yl 3-phenylprop-2-enoate
  • 2-propenoic acid, 3-phenyl-, 1-methylethyl ester
  • iso propyl 3-phenyl propenoate
  • iso propyl 3-phenylacrylate

US / EU / FDA / JECFA / FEMA / Scholar / Patents

Google Scholar Start search
Google Books Start search
Google Patents Start search
Perfumer & Flavorists Start search
EU Patents Start search
PubMeb Start search
NCBI Start search

Literature & References

propan-2-yl 3-phenylprop-2-enoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:7780-06-5
Pubchem (cid):24521
Pubchem (sid):29291589
propan-2-yl (E)-3-phenylprop-2-enoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:60512-85-8
Pubchem (cid):5273464
Pubchem (sid):134990756
propan-2-yl (Z)-3-phenylprop-2-enoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:7780-06-5
Pubchem (cid):11830220
Pubchem (sid):29259156
Publications by PubMed
Fragrance material review on isopropyl cinnamate.
Concentration dependence of the sharpless asymmetric amidohydroxylation of isopropyl cinnamate

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):HMDB37701
FooDB:FDB016829
Export Tariff Code:2916.39.7900
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 190.24197387695
Specific gravity @ 25 °C
Pounds per Gallon 8.279 to 8.654
Refractive Index 1.52 to 1.57 @ 20 °C
Boiling Point 269 to 270°C @ 760 mm Hg
Acid Value 2 max KOH/g
Vapor Pressure 0.007 mmHg @ 25 °C
Flash Point TCC Value 100 °C TCC
logP (o/w) 3.321 est
Shelf life 12 months (or longer if stored properly.)
Storage notes Store in cool, dry place in tightly sealed containers, protected from heat and light.
Solubility
alcohol Yes
water, 79.69 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Balsamic
balsamic, fruity, tropical, cinnamyl, berry, strawberry, peach, amber
Odor strength medium
Substantivity 252 hour(s) at 100.00 %
Luebke, William tgsc, (1986) At 100.00 %. balsam fruity tropical cinnamyl berry strawberry peach
Flavor Type: Balsamic
balsamic, cinnamyl, fruity, tropical, resinous, berry
Luebke, William tgsc, (1986) Balsamic cinnamyl fruity tropical resinous berry
General comment Fresh fruity

Potential Uses

Applications
Odor purposes Amaryllis, Amber, Apricot, Balsam, Champaca, Cherry, Chypre, Clematis, Fern, Fruit, Grape, Mimosa, Oriental, Peach, Tobacco flower
Other purposes Fixer
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 36 - Wear suitable protective clothing.
Hazards identification
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
Acute toxicity, Oral (Category 4), H302
GHS Label elements, including precautionary statements
Pictogramexclamation-mark.jpg
Signal word Warning
Hazard statement(s)
H302 - Harmful if swallowed
Precautionary statement(s)
P264 - Wash skin thouroughly after handling.
P270 - Do not eat, drink or smoke when using this product.
P301 + P312 - IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P330 - Rinse mouth.
P501 - Dispose of contents/ container to an approved waste disposal plant.
Human Experience:
6 % solution: no irritation or sensitization.
Oral/Parenteral Toxicity:
oral-rat LD50 > 5000 mg/kg
One group of 10 animals received 5000 mg/kg
(Moreno, 1982h)

oral-guinea pig LD50 2700 ul/kg
SKIN AND APPENDAGES (SKIN): "DERMATITIS, ALLERGIC: AFTER SYSTEMIC EXPOSURE"
Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 26, 1948.

oral-rat LD50 > 5000 mg/kg
Food and Chemical Toxicology. Vol. 26, Pg. 365, 1988.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Chemical Toxicology. Vol. 26, Pg. 365, 1988.

skin-guinea pig LD50 > 10 ml/kg
Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 26, 1948.

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
maximum skin levels for fine fragrances:
0.0100 % and are based on the assumption that the fragrance mixture is used at 20% in a consumer product (IFRA Use Level Survey).(IFRA, 2001)
Recommendation for isopropyl cinnamate usage levels up to:
5.0000 % in the fragrance concentrate.
use level in formulae for use in cosmetics:
0.0300 %
Dermal Systemic Exposure in Cosmetic Products:
0.0008 mg/kg/day (IFRA, 2001)
Maximised Survey-derived Daily Intakes (MSDI-EU): 16.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 3.00 (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: -2.30000
beverages(nonalcoholic): -0.52000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -0.75000
fruit ices: -0.75000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -1.30000
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

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):7780-06-5
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :24521
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
propan-2-yl 3-phenylprop-2-enoate
Chemidplus:0007780065
RTECS:GD9625000 for cas# 7780-06-5
propan-2-yl (E)-3-phenylprop-2-enoate
Chemidplus:007780065
propan-2-yl (Z)-3-phenylprop-2-enoate