butyl cinnamate
cinnamic acid butyl ester
Identification
| Name | butyl cinnamate |
| IUPAC | butyl (Z)-3-phenylprop-2-enoate |
| EINECS | 208-699-6 |
| FDA UNII | Search |
| Molecular Formula | C13 H16 O2 |
| Molecular Weight | 204.26892000 |
| MDL Number | MFCD00051560 |
| Nikkaji Number | J1.495.274H |
| CoE Number | 326 |
| XlogP3 | 3.90 (est) |
Regulatory
| JECFA Food Flavoring | 663 butyl cinnamate |
| DG SANTE Food Flavourings | 09.733 butyl cinnamate |
| FEMA Number | 2192 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 538-65-8 ; BUTYL CINNAMATE |
| FDA Regulation | FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION |
Physical Properties
| Appearance | colorless clear oily liquid (est) |
| Assay | 98.00 to 100.00 sum of isomers |
| Equivalence Factor for Assay | 102.14 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 1.00700 to 1.01300 @ 20.00 °C. |
| Pounds per Gallon - (est). | 8.389 to 8.439 |
| Refractive Index | 1.54100 to 1.54600 @ 20.00 °C., 1.53900 to 1.54500 @ 20.00 °C. |
| Boiling Point | 145.00 °C. @ 13.00 mm Hg, 279.00 to 281.00 °C. @ 760.00 mm Hg |
| Acid Value | 1.00 max. KOH/g |
| Vapor Pressure | 0.549000 mmHg @ 25.00 °C. |
| Vapor Density | 7.0 ( Air = 1 ) |
| Flash Point | > 212.00 °F. TCC ( > 100.00 °C. ) |
| logP (o/w) | 3.830 |
| Soluble in | alcohol |
| Insoluble in | water |
| Similar Items | note |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Description | at 100.00 %. |
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Human Experience | 4 % solution: no irritation or sensitization. |
| Oral/Parenteral Toxicity | oral-rat LD50 > 5000 mg/kg |
| Dermal Toxicity | skin-rabbit LD50 > 5000 mg/kg |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | flavor and fragrance agents |
| RIFM Fragrance Material Safety Assessment | Search |
| 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 butyl cinnamate usage levels up to | 8.0000 % in the fragrance concentrate. |
| use level in formulae for use in cosmetics | 0.5000 % |
| Dermal Systemic Exposure in Cosmetic Products | 0.0127 mg/kg/day (IFRA, 2001) |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.37 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 0.20 (μg/capita/day) |
| Structure Class | I |
| baked goods | 1.00000 |
| beverages(nonalcoholic) | - |
| beverages(alcoholic) | - |
| breakfast cereal | - |
| cheese | - |
| chewing gum | - |
| condiments / relishes | - |
| confectionery froastings | - |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | - |
| fruit ices | - |
| gelatins / puddings | - |
| granulated sugar | - |
| gravies | - |
| hard candy | 1.00000 |
| 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 | - |
BOC Sciences
Best of Chemicals Supplier
Quality supplier of research chemicals and biochemicals including inhibitors, building blocks, GMP Products, impurities and metabolites, APIs for Veterinary, Natural Compounds, ADCs, Stem Cell Molecul...
M&U International LLC
Steady supply & demand
Meeting customers increasing demands at home as well as abroad.
Penta International Corporation
Chemistry innovation
At Penta, our products and services help businesses do business better.
Synerzine, Inc.
Innovation. Customization. Aroma Ingredients.
Synerzine is a leading supplier of flavor and fragrance ingredients.
Potential Uses
Natural Occurrence
Synonyms
butyl 3-phenyl propenoate
butyl 3-phenyl-2-propenoate
butyl 3-phenylprop-2-enoate
butyl 3-phenylpropenoate
butyl beta-phenyl acrylate
N-
butyl cinnamate
N-
butyl phenyl acrylate
cinnamic acid butyl ester
cinnamic acid N-butyl ester
3-
phenyl-2-propenoic acid butyl ester
PubMed:
Synthesis of aliphatic esters of cinnamic acid as potential lipophilic antioxidants catalyzed by lipase B from Candida antarctica.
PubMed:
Syntheses and evaluation of the antioxidant activity of novel methoxypsoralen derivatives.
PubMed:
N-heterocycle carbene (NHC)-ligated cyclopalladated N,N-dimethylbenzylamine: a highly active, practical and versatile catalyst for the Heck-Mizoroki reaction.
PubMed:
A new diastereoselective aza-allyl conjugate addition-Michael addition-ring closure reaction sequence and its application in the construction of six contiguous stereogenic centres.
PubMed:
Fragrance material review on butyl cinnamate.
PubMed:
Critical behavior of the isotropic-smectic-A transition in p-decyloxy-benzylidene-p-amino-2-methyl-butyl-cinnamate studied by the nonlinear dielectric effect method.
PubMed:
Polarization and tilt-angle measurements near the smectic-A-chiral-smectic-C transition of p-(n-decyloxybenzylidene)-p-amino-(2-methyl-butyl)cinnamate (DOBAMBC).
PubMed:
[Treatment of oxyuriasis by N-butyl cinnamate].
PubMed:
[Research on the anthelmintic properties of various derivatives of the cinnamic series. II. Pharmacological study of n-butyl cinnamate].