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M&U International LLC Steady supply & demand Meeting customers increasing demands at home as well as abroad. M&U dedicates itself to the development and production of new products as well as continuously promoting those new products. We’ve maintained a steady supply&demand relationship with a large number of manufacturers at home and abroad. We’ve developed an extensive network and because of our relationships with these manufacturers, we’re able to provide a stable supply of great quality materials. We’re located in China’s largest communications hub, Shanghai and in the U.S. near one of the largest sea ports on the East Coast. The strategic locations of our facilities ensure convenient, prompt and secure delivery of our products to our customers. We warmly welcome your inquiries, come witness our solemn commitment for yourself. Email: Sales US Email: Sales Voice: +86-21-32515501 60762991 60762992 Fax: +86-21-32515502 64204960 US Voice: 908-359-9000 US Fax: 908-359-9002 Product(s): A0217 BUTYL CINNAMATE, Kosher
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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): 02-56400 BUTYL CINNAMATE, Kosher
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| butyl 3-phenylprop-2-enoate (Click)
IUPAC Name: butyl 3-phenylprop-2-enoate
Std.InChI: InChI=1S/C13H16O2/c1-2-3-11-15-13(14)10-9-12-7-5-4-6-8-12/h4-10H,2-3,11H2,1H3
InChI: InChI=1/C13H16O2/c1-2-3-11-15-13(14)10-9-12-7-5-4-6-8-12/h4-10H,2-3,11H2,1H3
Std.InChIKey: OHHIVLJVBNCSHV-UHFFFAOYSA-N
InChIKey: OHHIVLJVBNCSHV-UHFFFAOYAH
SMILES: CCCCOC(=O)C=CC1=CC=CC=C1
| |
| CAS Number: | 538-65-8 |
| ECHA EC Number: | 208-699-6 |
| FDA UNII: | 05Q793M6Z5 |
| FEMA Number: | 2192 |
| CoE Number: | 326 |
| XlogP3: | 3.90 (est) |
| Molecular Weight: | 204.26892000 |
| Formula: | C13 H16 O2 |
| BioActivity Summary: | listing |
| NMR Predictor: | Predict |
| butyl (E)-3-phenylprop-2-enoate (Click)
IUPAC Name: butyl (E)-3-phenylprop-2-enoate
Std.InChI: InChI=1S/C13H16O2/c1-2-3-11-15-13(14)10-9-12-7-5-4-6-8-12/h4-10H,2-3,11H2,1H3/b10-9+
InChI: InChI=1/C13H16O2/c1-2-3-11-15-13(14)10-9-12-7-5-4-6-8-12/h4-10H,2-3,11H2,1H3/b10-9+
Std.InChIKey: OHHIVLJVBNCSHV-MDZDMXLPSA-N
InChIKey: OHHIVLJVBNCSHV-MDZDMXLPBG
SMILES: CCCCOC(=O)/C=C/C1=CC=CC=C1
| |
| CAS Number: | 538-65-8 (E) |
| XlogP3: | 3.90 (est) |
| Molecular Weight: | 204.26892000 |
| Formula: | C13 H16 O2 |
| NMR Predictor: | Predict |
| butyl (Z)-3-phenylprop-2-enoate (Click)
IUPAC Name: butyl (Z)-3-phenylprop-2-enoate
InChI: InChI=1/C13H16O2/c1-2-3-11-15-13(14)10-9-12-7-5-4-6-8-12/h4-10H,2-3,11H2,1H3/b10-9-
Std.InChIKey: OHHIVLJVBNCSHV-KTKRTIGZSA-N
InChIKey: OHHIVLJVBNCSHV-KTKRTIGZBO
SMILES: CCCCOC(=O)\C=C/c1ccccc1
| |
| CAS Number: | 538-65-8 (Z) |
| XlogP3: | 3.90 (est) |
| Molecular Weight: | 204.26892000 |
| Formula: | C13 H16 O2 |
| NMR Predictor: | Predict |
| 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 |
| IBM Patents: | Obtain |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
| JECFA Food Flavoring: | 663 butyl cinnamate |
| Flavis Number: | 09.733 (Old) |
| EU SANCO Food Flavourings: | 09.733 butyl cinnamate |
| FEMA Number: | 2192 butyl cinnamate |
| FDA Mainterm: | BUTYL CINNAMATE |
| 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. | |
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. |
| Refractive Index: | 1.53900 to 1.54500 @ 20.00 °C. |
| Boiling Point: | 145.00 °C. @ 13.00 mm Hg |
| Boiling Point: | 279.00 to 281.00 °C. @ 760.00 mm Hg |
| Acid Value: | 1.00 max. KOH/g |
| Vapor Pressure: | 0.549000 mm/Hg @ 25.00 °C. |
| Vapor Density: | 7.0 ( Air = 1 ) |
| Flash Point: | > 212.00 °F. TCC ( > 100.00 °C. ) |
| logP (o/w): | 3.830 |
Organoleptic Properties:
| Odor Type: | balsamic |
| Odor Strength: | medium |
| Odor Description: at 100.00 %. | sweet balsam cocoa spicy fruity |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
perfuming agents |
Suppliers:
| CTC Organics |
| butyl cinnamate |
| Frutarom |
| butyl cinnamate |
| M&U International |
| BUTYL CINNAMATE, Kosher |
| Parchem |
| Butyl Cinnamate |
| Penta International |
| BUTYL CINNAMATE, Kosher |
| Pfaltz & Bauer |
| N-Butyl Cinnamate |
| For experimental / research use only. |
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 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: | |||
| 4 % solution: no irritation or sensitization. | |||
| Oral/Parenteral Toxicity: | |||
|
oral-rat LD50 > 5000 mg/kg One group of 10 animals received 5000 mg/kg, mortality 0/10, only summary available. (Moreno, 1977r) oral-mouse LD50 7000 mg/kg Annales Pharmaceutiques Francaises. Vol. 14, Pg. 370, 1956. oral-rat LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 18, Pg. 655, 1980. | |||
| Dermal Toxicity: | |||
|
skin-rabbit LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 18, Pg. 655, 1980. | |||
| Inhalation Toxicity: | |||
| Not determined | |||
Safety in Use Information:
| Category: | flavor and fragrance agents | ||
| 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 | ||
| 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: | |||
| Recommendation for butyl cinnamate flavor usage levels up to: | |||
| 15.0000 ppm in the finished product. | |||
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) page or 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) page or 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) page or pdf | |
| EPI System: | View |
| Chemicalize.org: | Calculate predicted properties |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 538-65-8 |
| EPA ACToR: | Toxicology Data |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 2 |
| butyl 3-phenylprop-2-enoate | |
| butyl (E)-3-phenylprop-2-enoate | |
| butyl (Z)-3-phenylprop-2-enoate | |
References:
| butyl 3-phenylprop-2-enoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 538-65-8 |
| Pubchem (cid): | 10861 |
| Pubchem (sid): | 29279231 |
| butyl (E)-3-phenylprop-2-enoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 538-65-8 |
| Pubchem (cid): | 5273465 |
| Pubchem (sid): | 154166 |
| butyl (Z)-3-phenylprop-2-enoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 538-65-8 |
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 Everything Added to Food in the United States (EAFUS): | View |
| CHEMBL: | View |
| Export Tariff Code: | 2916.12.6000 |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| balsam | FR | |
| chocolate cocoa | ||
| fruit | FR | |
| peach | FR | |
| spice | FR | |
| strawberry | FR |
Natural Occurrence in: note
| not found in nature |
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 |
click on the picture(s) below to interact with the 3D model | |
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| Similar Items: note | |
| allyl cinnamate | |
| amyl cinnamate | |
| isoamyl cinnamate | |
| benzyl cinnamate | |
| isobutyl cinnamate | |
| cinnamyl cinnamate | |
| citronellyl cinnamate | |
| cyclohexyl cinnamate | |
| ethyl alpha-acetyl cinnamate | |
| ethyl cinnamate | |
| heptyl cinnamate | |
| (Z)-3-hexen-1-yl cinnamate | |
| hexyl cinnamate | |
| linalyl cinnamate | |
| methyl cinnamate | |
| octyl cinnamate | |
| phenethyl cinnamate | |
| 3-phenyl propyl cinnamate | |
| propyl cinnamate | |
| isopropyl cinnamate | |
| terpinyl cinnamate | |
| tetrahydrofurfuryl cinnamate | |
| Soluble in: | |
| alcohol | |
| water, 5000 mg/L @ 25 °C (exp) | |
| Insoluble in: | |
| water | |