Articles:
| PubMed: | Fragrance material review on isopropyl cinnamate. |
| PubMed: | Concentration dependence of the sharpless asymmetric amidohydroxylation of isopropyl cinnamate |
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Apiscent Labs, LLC Delivery of Quality Custom manufacturer and international supplier of fine ingredients. We believe inspired chemistry enriches lives. That's why our team is guided by a mission to provide fine ingredients to the worldwide pharmaceutical, flavor and fragrance markets with a primary focus on the manufacturing of value-added, research-based molecules. We're innovative problem solvers committed to excellence at every phase. Our work builds the foundation for our clients' continued success. Email: Info Email: Carl Sheeley Email: Customer Service Voice: +1 (414) 744 3993 Fax: +1 (414) 744 7111 Product(s): ISOPROPYL CINNAMATE
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Beijing Lys Chemicals Co, LTD. From Grams to Tons Fine chemical high-tech company which contains R&D, production, and sales. BEIJING LYS CHEMICALS CO, LTD, established in 2004, is a fine chemical high-tech company which contains R&D, production, and sales. We mainly engaged in export and technology development of flavor and fragrance materials and pharmaceutical intermediates. We have nearly 500 kinds of products, from grams to tons, exported to USA, Europe, South Asia and etc. And we custom manufacture new products according to customers’ needs, and serve good quality products and service. Our goal is to become a fine chemical enterprise which could provide special products and services. Email: Mr. Jia Email: Mr. Guo Voice: 86-10-68418738 Fax: 86-10-68418739 Mr. Guo 86-10-68483445 Mr. Guo 86-10-68418739 Product(s): 10352 isoPropyl cinnamate
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CTC Organics For More Than 40 Year Your source for rare aroma chemicals for the flavor and fragrance industy. “The world is run by middle men.” The number of times I have heard Dr. Liu utter those words are innumerable. He loved reciting and recording famous quotes and had many of his own. Among his many talents, Dr. Liu had a unique genius in the area of chemistry. He had an uncanny understanding of the pulse of the chemical industry and was a superb salesman. US Email: Customer Service US Voice: (404) 524-6744 US Fax: (404) 577-1651 Product(s): W096 isopropyl cinnamate
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Frutarom Ltd Discover Our Passion Your preferred partner for flavour and fragrance success. At Frutarom, we take pride in our expertise and knowledge of Flavour & Fragrance Ingredients and our thorough understanding of the needs of Flavourists, Perfumers and Food Technologists. Working closely with our customers we have a strong track record of providing unique solutions to fulfil requirements. US Email: Info- USA Email: Info - UK Voice: +44 (0) 1429 863 222 US Voice: +1 513 870 4900 Products List: View Product(s): I1500-0 isopropyl cinnamate
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Lluch Essence S.L. A family company dedicated to sales and distribution Flexibility, availability, price and quality. Flexibility, availability, price and quality make LLUCH ESSENCE S.L. one of Europe’s references when it comes to essential oils and aroma chemicals, and it is now well known all around the world. Email: Info Voice: 34 93 379 38 49 Fax: 34 93 370 65 04 Product(s): isoPROPYL CINNAMATE 96% isoPROPYL CINNAMATE 98%
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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): A0191 isoPROPYL 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): 09-54400 ISOPROPYL CINNAMATE, Kosher
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SAFC Complete Supply Chain The perfect blend of products and services that bring your creativity to life. Sigma-Aldrich is a leading Life Science and High Technology company dedicated to providing high-quality, safe and certified flavor ingredients with transparent and easily accessible documentation to customers around the globe. Sigma-Aldrich also provides a suite of analytical tools that allow food analysts to simplify sample preparation, cleanup and analysis steps, while increasing sensitivity to trace ingredients and harmful substances to meet regulations and quality standards. Email: Information US Email: Sales US Voice: 800-244-1173 US Fax: 800-368-4661 Product(s): W293903 Isopropyl cinnamate ≥96%, Kosher, FG SDS
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The Good Scents Company Fragrance Creators For your fragrance creations. US Email: Sales US Voice: 414-764-2659 Product(s): isopropyl cinnamate
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| propan-2-yl 3-phenylprop-2-enoate (Click)
IUPAC Name: propan-2-yl 3-phenylprop-2-enoate
Std.InChI: InChI=1S/C12H14O2/c1-10(2)14-12(13)9-8-11-6-4-3-5-7-11/h3-10H,1-2H3
InChI: InChI=1/C12H14O2/c1-10(2)14-12(13)9-8-11-6-4-3-5-7-11/h3-10H,1-2H3
Std.InChIKey: RGACABDFLVLVCT-UHFFFAOYSA-N
InChIKey: RGACABDFLVLVCT-UHFFFAOYAC
SMILES: CC(C)OC(=O)C=CC1=CC=CC=C1
| |
| CAS Number: | 7780-06-5 |
| ECHA EC Number: | 231-949-0 |
| Beilstein Number: | 1908938 |
| MDL: | MFCD00048292 |
| FEMA Number: | 2939 |
| CoE Number: | 325 |
| XlogP3: | 3.40 (est) |
| Molecular Weight: | 190.24198000 |
| Formula: | C12 H14 O2 |
| NMR Predictor: | Predict |
| propan-2-yl (E)-3-phenylprop-2-enoate (Click)
IUPAC Name: propan-2-yl (E)-3-phenylprop-2-enoate
Std.InChI: InChI=1S/C12H14O2/c1-10(2)14-12(13)9-8-11-6-4-3-5-7-11/h3-10H,1-2H3/b9-8+
InChI: InChI=1/C12H14O2/c1-10(2)14-12(13)9-8-11-6-4-3-5-7-11/h3-10H,1-2H3/b9-8+
Std.InChIKey: RGACABDFLVLVCT-CMDGGOBGSA-N
InChIKey: RGACABDFLVLVCT-CMDGGOBGBH
SMILES: CC(C)OC(=O)/C=C/C1=CC=CC=C1
| |
| CAS Number: | 7780-06-5 (E) |
| XlogP3: | 3.40 (est) |
| Molecular Weight: | 190.24198000 |
| Formula: | C12 H14 O2 |
| NMR Predictor: | Predict |
| propan-2-yl (Z)-3-phenylprop-2-enoate (Click)
IUPAC Name: propan-2-yl (Z)-3-phenylprop-2-enoate
Std.InChI: InChI=1S/C12H14O2/c1-10(2)14-12(13)9-8-11-6-4-3-5-7-11/h3-10H,1-2H3/b9-8-
InChI: InChI=1/C12H14O2/c1-10(2)14-12(13)9-8-11-6-4-3-5-7-11/h3-10H,1-2H3/b9-8-
Std.InChIKey: RGACABDFLVLVCT-HJWRWDBZSA-N
InChIKey: RGACABDFLVLVCT-HJWRWDBZBB
SMILES: CC(C)OC(=O)/C=C\C1=CC=CC=C1
| |
| CAS Number: | 7780-06-5 (Z) |
| XlogP3: | 3.40 (est) |
| Molecular Weight: | 190.24198000 |
| Formula: | C12 H14 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 |
| Read: Under the conditions of intended use - New developments in the FEMA GRAS program and the safety assessment of flavor ingredients | |
| Read: A GRAS assessment program for flavor ingredients | |
| Read: Sensory testing for flavorings with modifying properties. Food Technology | |
| Read: Criteria for the safety evaluation of flavoring substances | |
| Read: A procedure for the safety evaluation of natural flavor complexes used as ingredients in food: essential oils | |
| Read: FEMA Expert Panel: 30 Years of safety evaluation for the flavor industry | |
| Read: Consumption ratio and food predominance of flavoring materials | |
| JECFA Food Flavoring: | 661 isopropyl cinnamate |
| Flavis Number: | 09.732 (Old) |
| EU SANCO Food Flavourings: | 09.732 isopropyl cinnamate |
| FEMA Number: | 2939 isopropyl cinnamate |
| FDA Mainterm: | ISOPROPYL 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 to pale yellow clear oily liquid (est) |
| Assay: | 96.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.99500 to 1.04000 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 8.279 to 8.654 |
| Refractive Index: | 1.52000 to 1.57000 @ 20.00 °C. |
| Boiling Point: | 269.00 to 270.00 °C. @ 760.00 mm Hg |
| Acid Value: | 2.00 max. KOH/g |
| Vapor Pressure: | 0.007000 mm/Hg @ 25.00 °C. (est) |
| Flash Point: | > 212.00 °F. TCC ( > 100.00 °C. ) |
| logP (o/w): | 3.321 (est) |
| Shelf Life: | 12.00 month(s) or longer if stored properly. |
| Storage: | store in cool, dry place in tightly sealed containers, protected from heat and light. |
Organoleptic Properties:
| Odor Type: | balsamic |
| Odor Strength: | medium |
| Odor Description: at 100.00 %. | balsam fruity tropical cinnamyl berry strawberry peach Luebke, William tgsc, (1986) |
| Odor sample from: | Nickstadt Moeller, Inc. |
| Substantivity: | 252 Hour(s) |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
perfuming agents |
Suppliers:
| Apiscent Labs |
| ISOPROPYL CINNAMATE
Odor: Balsamic, sweet, dry amber-like |
| Beijing Lys Chemicals |
| isoPropyl cinnamate |
| CTC Organics |
| isopropyl cinnamate |
| Frutarom |
| isopropyl cinnamate |
| Inoue Perfumery |
| isoPROPYL CINNAMATE |
| Lluch Essence |
| isoPROPYL CINNAMATE 96% |
| Lluch Essence |
| isoPROPYL CINNAMATE 98%
Odor: FRUITY, BALSAMIC, SWEET |
| M&U International |
| isoPROPYL CINNAMATE, Kosher |
| Penta International |
| ISOPROPYL CINNAMATE, Kosher |
| SAFC Global |
| Isopropyl cinnamate
≥96%, Kosher, FG Odor: balsam; fruity |
| Silverline Chemicals |
| isoPropyl Cinnamate |
| The Good Scents Company |
| isopropyl cinnamate
Odor: balsam fruity tropical cinnamyl berry strawberry peach |
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 | |
| Pictogram |  |
| 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 | ||
| 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 ppm | average 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... |
| Flavor & Extract Manufacturers Association (FEMA) reference(s): | |
| The FEMA GRAS assessment of cinnamyl derivatives used as flavor ingredients. View pdf | |
| EPI System: | View |
| Chemicalize.org: | Calculate predicted properties |
| EPA Substance Registry Services (TSCA): | 7780-06-5 |
| EPA ACToR: | Toxicology Data |
| 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 | |
| propan-2-yl (Z)-3-phenylprop-2-enoate | |
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: | 7780-06-5 |
| 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 |
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 |
| HMDB (The Human Metabolome Database): | HMDB37701 |
| Export Tariff Code: | 2916.12.6000 |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| amaryllis | ||
| amber | FR | |
| apricot | FR | |
| balsam | FR | |
| champaca champak | FR | |
| cherry | FR | |
| chypre | FR | |
| clematis | FR | |
| fern fougere | FR | |
| fixer | ||
| fruit | FR | |
| grape | FR | |
| mimosa | FR | |
| oriental | FR | |
| peach | FR | |
| tobacco flower | FR |
Natural Occurrence in: note
| not found in nature |
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 |
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 | |
| butyl 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 | |
| terpinyl cinnamate | |
| tetrahydrofurfuryl cinnamate | |
| Soluble in: | |
| alcohol | |
| water, 79.69 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |