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isobutyl cinnamate

General Material Information

Preferred name isobutyl cinnamate
Trivial Name 2-methylpropyl 3-phenylprop-2-enoate
Short Description cinnamic acid isobutyl ester
Formula C13 H16 O2
CAS Number 122-67-8
CAS Number 122-67-8 (E)
FEMA Number 2193
ECHA Number 204-564-0
FDA UNII 4NCI0MR7KP
MDL MFCD00038289
COE Number 327
Bio Activity Summary External link
NMR Predictor External link
JECFA Food Flavoring 664 isobutyl cinnamate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 122-67-8 ; ISOBUTYL CINNAMATE
Synonyms
  • iso butyl 3-phenyl propenoate
  • iso butyl 3-phenylacrylate
  • iso butyl beta-phenyl acrylate
  • iso butyl cinnamate FCC
  • cinnamic acid isobutyl ester
  • labdanol
  • 2-methyl propyl 3-phenyl propenoate
  • 2-methyl propyl 3-phenyl-2-propenoate
  • 2-methyl propyl beta-phenyl acrylate
  • 2-methyl propyl cinnamate
  • 2-methylpropyl 3-phenylprop-2-enoate
  • 3-phenyl-2-propenoic acid 2-methyl propyl ester
  • 2-propenoic acid, 3-phenyl-, 2-methylpropyl ester

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
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB37703
FooDB:FDB016831
Export Tariff Code:2916.12.6000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex Yes
Molecular weight 204.26892089844
Specific gravity @ 25 °C
Pounds per Gallon 8.329 to 8.354
Refractive Index 1.535 to 1.541 @ 20 °C
Acid Value 1 max KOH/g
Vapor Pressure 0.002 mmHg @ 20 °C
Flash Point TCC Value 110 °C TCC
logP (o/w) 3.83 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
fixed oils Yes
water, 25.75 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Balsamic
sweet, balsamic, fruity, labdanum, spicy
Odor strength medium
Substantivity 168 hour(s) at 100.00 %
Luebke, William tgsc, (1988) At 100.00 %. sweet balsam fruity like labdanum
Mosciano, Gerard P&F 15, No. 2, 69, (1990) Sweet, fruity, balsamic and spice-like
Flavor Type: Balsamic
balsamic, fruity, chemical
Mosciano, Gerard P&F 15, No. 2, 69, (1990) At 30.00 ppm. Balsamic, fruity and chemical-like
General comment Sweet, taste reminiscent of currant

Occurrences

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
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
Skin corrosion/irritation (Category 3), H316
Serious eye damage/eye irritation (Category 2A), H320
GHS Label elements, including precautionary statements
Pictogramexclamation-mark.jpg
Signal word Warning
Hazard statement(s)
H302 - Harmful if swallowed
H316 - Causes mild skin irritation
H320 - Causes eye irritation
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:
8 % solution: no irritation or sensitization.
Oral/Parenteral Toxicity:
oral-rat LD50 > 5000 mg/kg
One group of 10 animals received 5000 mg/kg, mortality 2/10, only summary available.
(Levenstein, 1975g)

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
maximum skin levels for fine fragrances:
0.1000 % 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 isobutyl cinnamate usage levels up to:
4.0000 % in the fragrance concentrate.
use level in formulae for use in cosmetics:
0.5000 %
Dermal Systemic Exposure in Cosmetic Products:
0.0125 mg/kg/day (IFRA, 2001)
Maximised Survey-derived Daily Intakes (MSDI-EU): 1.20 (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: -5.40000
beverages(nonalcoholic): -1.30000
beverages(alcoholic): -2.00000
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -3.40000
fruit ices: -3.40000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -5.40000
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):122-67-8
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :31223
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
2-methylpropyl 3-phenylprop-2-enoate
Chemidplus:0000122678
RTECS:GD9550000 for cas# 122-67-8
2-methylpropyl (E)-3-phenylprop-2-enoate