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3-phenylpropyl cinnamate
Notes:
Flavouring ingredient
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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 Molecule and chiral compounds. BOC Sciences provides a wide range of services to support the pharmaceutical industry through all stages of drug discovery including Custom Synthesis of those chemicals that are not in stock, Isotope Labeling Service, Chiral Synthesis and Resolution, Bioconjugation, PEGylation services, analytical services. BOC Sciences is a brand of BOCSCI Inc. We leverage our wide spectrum of business in the fields of development, manufacturing, marketing, and distribution to help you make best-informed decisions tailored to your evolving needs for premium chemicals. Our complete suite of CRO services spans the entire molecule development pipeline including contract research for target identification, building blocks, compound synthesis, biochemical and cellular analysis, preclinical animal tests, and clinical studies. Email: Marketing US Email: Marketing Email: Sales US Email: Sales Voice: 1-631-485-4226 Fax: 1-631-614-7828 US Voice: 1-631-485-4226 US Fax: 1-631-614-7828 Europe 44-203-286-1088 Facebook Twitter Linkedin Blog Get the App! Product(s): 122-68-9 3-Phenylpropyl 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 Linkedin Product(s): PHENYL PROPYL CINNAMATE
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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): 16-46200 3-PHENYLPROPYL CINNAMATE
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Ernesto Ventós S.A. Leaders in essence We employ our five senses to do our job well. Ventos has specialized in the distribution of raw materials for the flavour and fragrance industry. With more than 1700 references permanently available from stock, we offer a just-in-time response to our customer needs, being able to deliver from 1kg to several tonnes all over the world. Email: Information US Email: Information USA Email: Gemma Parramon (Europe) US Email: Gemma Parramon (Europe) Email: Jorge Sos (Asia) Email: Ramon Rubau (America) Voice: +34 934706210 Fax: +34 934733010 US Voice: +1 856 226 7501 Instagram Linkedin Youtube Press Ads Videos Product(s): 3-PHENYLPROPYL CINNAMATE
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Vigon International Passion for Simplicity Manufacturer and supplier of high quality flavor and fragrance ingredients. The growth and success of Vigon is due in large part to a unique corporate concept that Vigon has developed and established within the industry: Creative Partnerships. This partnership concept has been and continues to be the foundation and guiding principle for all of Vigon's activities. US Email: Sales US Voice: 570-476-6300 US Fax: 570-476-1110 Facebook Twitter Linkedin Newsletter Blog Products List: View Product(s): 500956 Phenyl Propyl Cinnamate
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| CAS Number: | 122-68-9 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 204-565-6 | |
| FDA UNII: | F0Q8B0FS94 | |
| MDL: | MFCD00048269 | |
| CoE Number: | 338 | |
| XlogP3: | 4.90 (est) | |
| Molecular Weight: | 266.33986000 | |
| Formula: | C18 H18 O2 | |
| NMR Predictor: | Predict (works with chrome, Edge or firefox) | |
| CAS Number: | 290311-72-7 |  3D/inchi
|
| FDA UNII: | Search | |
| XlogP3: | 4.90 (est) | |
| Molecular Weight: | 266.33986000 | |
| Formula: | C18 H18 O2 | |
| NMR Predictor: | Predict (works with chrome, Edge or firefox) | |
| CAS Number: | 122-68-9 (Z) |  3D/inchi
|
| FDA UNII: | Search | |
| XlogP3: | 4.90 (est) | |
| Molecular Weight: | 266.33986000 | |
| Formula: | C18 H18 O2 | |
| NMR Predictor: | Predict (works with chrome, Edge or firefox) | |
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 |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
| JECFA Food Flavoring: | 672 3-phenylpropyl cinnamate |
| DG SANTE Food Flavourings: | 09.745 3-phenylpropyl cinnamate |
| FEMA Number: | 2894 3-phenylpropyl cinnamate |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 122-68-9 ; 3-PHENYLPROPYL 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 liquid (est) |
| Assay: | 98.00 to 100.00 % |
| Equivalence Factor for Assay: | 133.17 |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 1.07400 to 1.07600 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 8.937 to 8.953 |
| Specific Gravity: | 1.07400 to 1.08000 @ 25.00 °C. |
| Pounds per Gallon - est.: | 8.937 to 8.987 |
| Refractive Index: | 1.58500 to 1.58700 @ 20.00 °C. |
| Refractive Index: | 1.58300 to 1.58800 @ 20.00 °C. |
| Boiling Point: | 300.00 to 301.00 °C. @ 0.00 mm Hg |
| Boiling Point: | 190.00 °C. @ 0.20 mm Hg |
| Acid Value: | 1.00 max. KOH/g |
| Flash Point: | 501.00 °F. TCC ( 260.56 °C. ) |
| logP (o/w): | 5.023 (est) |
| Soluble in: | |
| alcohol | |
| benzyl benzoate | |
| water, 0.9383 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| 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 | |
| propyl cinnamate | |
| isopropyl cinnamate | |
| terpinyl cinnamate | |
| tetrahydrofurfuryl cinnamate | |
Organoleptic Properties:
| Odor Type: balsamic | |
| Odor Strength: | medium |
| Substantivity: | 400 hour(s) at 100.00 % |
| sweet balsamic spicy apricot | |
| Odor Description: at 100.00 %. | sweet balsam spicy apricot Luebke, William tgsc, (1988) |
| Flavor Type: spicy | |
| sweet spicy cinnamyl balsamic fruity | |
| Taste Description: | sweet spicy cinnamyl balsamic fruity Luebke, William tgsc, (1988) |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
perfuming agents |
Suppliers:
| BOC Sciences |
| For experimental / research use only. |
| 3-Phenylpropyl Cinnamate |
| Diffusions Aromatiques |
| 3-PHENYLPROPYL CINNAMATE |
| Ernesto Ventós |
| 3-PHENYLPROPYL CINNAMATE
Odor: HEAVY FLORAL, ROSE, BALSAMIC |
| Inoue Perfumery |
| 3-PHENYLPROPYL CINNAMATE |
| Lluch Essence |
| PHENYL PROPYL CINNAMATE |
| Parchem |
| 3-phenyl propyl cinnamate |
| Penta International |
| 3-PHENYLPROPYL CINNAMATE |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| 3-Phenylpropyl Cinnamate |
| U. K. Aromatics and Chemicals |
| PHENYL PROPYL CINNAMATE
Odor: sweet balsam spicy apricot Flavor: Apricot, peru balsam, mimosa |
| Vigon International |
| Phenyl Propyl Cinnamate
Odor: SWEET AND HEAVY FLORAL ODOR WITH A BALSAMIC CHARACTER |
Safety Information:
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| None - None found. | |
|
S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. | |
| 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. (Keating, 1972d) oral-rat LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 12, Pg. 969, 1974. | |
| Dermal Toxicity: | |
|
skin-rabbit LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 12, Pg. 969, 1974. | |
| 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 | |||
| Recommendation for 3-phenyl propyl cinnamate usage levels up to: | |||
| 4.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.49 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 37.00 (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: | - | 5.30000 | |
| beverages(nonalcoholic): | - | 3.40000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 4.10000 | |
| fruit ices: | - | 4.10000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 4.30000 | |
| 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:
| Flavor & Extract Manufacturers Association (FEMA) reference(s): | |
| The FEMA GRAS assessment of cinnamyl derivatives used as flavor ingredients. View pdf | |
| 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): | 122-68-9 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 61051 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 2 |
| 3-phenylpropyl 3-phenylprop-2-enoate | |
| Chemidplus: | 0000122689 |
| 3-phenylpropyl (E)-3-phenylprop-2-enoate | |
| 3-phenylpropyl (Z)-3-phenylprop-2-enoate | |
References:
| 3-phenylpropyl 3-phenylprop-2-enoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 122-68-9 |
| Pubchem (cid): | 61051 |
| Pubchem (sid): | 135018862 |
| 3-phenylpropyl (E)-3-phenylprop-2-enoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 290311-72-7 |
| Pubchem (cid): | 5320530 |
| Pubchem (sid): | 39294063 |
| 3-phenylpropyl (Z)-3-phenylprop-2-enoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 122-68-9 |
| Pubchem (cid): | 6435823 |
| Pubchem (sid): | 74716878 |
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): | HMDB36387 |
| FooDB: | FDB015265 |
| Export Tariff Code: | 2916.12.6000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| acacia | FR | |
| apricot | FR | |
| balsam | FR | |
| benzoin absolute replacer | FL/FR | |
| chocolate cocoa | FL | |
| eglantine | FR | |
| fixer | ||
| floral | FR | |
| geranium | FR | |
| mimosa | FR | |
| orris | FR | |
| patchouli | FR | |
| peru balsam | FR | |
| reseda | FR | |
| rose | FR | |
| stephanotis | FR | |
| violet | FR |
Occurrence (nature, food, other): note
| benzoin sumatra Search PMC Picture | |
| peru balsam Search Trop Picture | |
| styrax Search Picture |
Synonyms:
| cinnamic acid 3-phenyl propyl ester | |
| hydrocinnamyl 3-phenyl propenoate | |
| hydrocinnamyl 3-phenylpropenoate | |
| hydrocinnamyl cinnamate | |
| 3- | phenyl propyl 3-phenyl propenoate |
| 3- | phenyl propyl 3-phenyl-2-propenoate |
| 3- | phenyl propyl beta-phenyl acrylate |
| phenyl propyl cinnamate | |
| 3- | phenyl propyl cinnamate |
| beta- | phenyl propyl cinnamate |
| 3- | phenyl-2-propenoic acid 3-phenyl propyl ester |
| 3- | phenylpropyl 3-phenyl-2-propenoate |
| 3- | phenylpropyl 3-phenylacrylate |
| 3- | phenylpropyl 3-phenylprop-2-enoate |
| 3- | phenylpropyl 3-phenylpropenoate |
| 3- | phenylpropyl cinnamate |
| 2- | propenoic acid, 3-phenyl-, 3-phenylpropyl ester |