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cinnamyl 2-methylcrotonate
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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): 61792-12-9 Cinnamyl 2-methylcrotonate
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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): 03-28000 CINNAMYL TIGLATE
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Synerzine, Inc. Innovation. Customization. Aroma Ingredients. Synerzine is a leading supplier of flavor and fragrance ingredients. Synerzine expresses what we have grown to embody as an organization - the synergy and connection between raw ingredients, science, technology, and the final product. Our experienced team is passionate about bringing our customers high-quality innovative ingredients that they can trust. Building upon our 44 year history, the Synerzine team provides customers around the globe with convenient access to over 1200 high-quality aroma ingredients. We actively engage with customers to add a wide array of new products and services on a regular basis. Our aim is to delight every customer with our exceptional services, large product selection, customization and the highest quality and safety standards. We provide our customers with true value designed to help them bring their products to market faster. US Email: Customer Service US Email: Sales US Voice: (404) 524-6744 US Fax: (404) 577-1651 Inquiry Products List: View Product(s): W0345 Cinnamyl Tiglate
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| CAS Number: | 61792-12-9 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 263-215-0 | |
| Nikkaji Web: | J372.615K | |
| XlogP3-AA: | 3.50 (est) | |
| Molecular Weight: | 216.27992000 | |
| Formula: | C14 H16 O2 | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
| CAS Number: | 84254-87-5 |  3D/inchi
|
| Nikkaji Web: | J297.576I | |
| XlogP3-AA: | 3.50 (est) | |
| Molecular Weight: | 216.27992000 | |
| Formula: | C14 H16 O2 | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
| EFSA/JECFA Comments: | (Z)- or (E)- isomer not specified by CASrn in Register. Mixture of (2E)-2-methylbut-2-enoate ester of (E/Z )-cinnamic acid (EFFA, 2010a). Composition of stereoisomeric mixture to be specified. | |
Category: 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 |
| DG SANTE Food Flavourings: | 09.339 cinnamyl 2-methylcrotonate |
Physical Properties:
| Appearance: | colorless clear oily liquid (est) |
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.99500 to 1.00100 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 8.279 to 8.329 |
| Refractive Index: | 1.52100 to 1.52700 @ 20.00 °C. |
| Melting Point: | 18.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 340.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.001320 mmHg @ 25.00 °C. |
| Flash Point: | 388.00 °F. TCC ( 197.78 °C. ) |
| logP (o/w): | 4.010 (est) |
| Soluble in: | |
| alcohol | |
| water, 10.04 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| Similar Items: note | |
| allyl tiglate | |
| amyl tiglate | |
| isoamyl tiglate | |
| benzyl methyl tiglate | |
| benzyl tiglate | |
| butyl tiglate | |
| isobutyl tiglate | |
| (E)-citronellyl tiglate | |
| (E)-ethyl tiglate | |
| geranyl methyl tiglate | |
| geranyl tiglate | |
| (Z)-3-hexen-1-yl tiglate | |
| hexyl tiglate | |
| methyl tiglate | |
| 3-octyl tiglate | |
| phenethyl tiglate | |
| propyl tiglate | |
| isopropyl tiglate | |
Organoleptic Properties:
| Odor Type: woody | |
| woody cinnamyl green herbal | |
| Odor Description: at 100.00 %. | woody cinnamyl green herbal |
| 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. |
| Cinnamyl 2-methylcrotonate |
| Inoue Perfumery |
| CINNAMYL TIGLATE |
| Penta International |
| CINNAMYL TIGLATE |
| Synerzine |
| Cinnamyl Tiglate |
Safety Information:
| 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 RIFM (1975b) | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | 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: | |||
| 0.0020 % 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 cinnamyl tiglate usage levels up to: | |||
| 2.0000 % in the fragrance concentrate. | |||
| use level in formulae for use in cosmetics: | |||
| 0.0100 % | |||
| Dermal Systemic Exposure in Cosmetic Products: | |||
| 0.0003 mg/kg/day (IFRA, 2001) | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.012 (μg/capita/day) | ||
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 3900 (μg/person/day) | ||
| Threshold of Concern: | 1800 (μg/person/day) | ||
| Structure Class: | I | ||
| Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i). | |||
| Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm. | |||
| average usage mg/kg | maximum usage mg/kg | ||
| Dairy products, excluding products of category 02.0 (01.0): | 7.00000 | 35.00000 | |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | 5.00000 | 25.00000 | |
| Edible ices, including sherbet and sorbet (03.0): | 10.00000 | 50.00000 | |
| Processed fruit (04.1): | 7.00000 | 35.00000 | |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | - | - | |
| Confectionery (05.0): | 10.00000 | 50.00000 | |
| Chewing gum (05.0): | - | - | |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 5.00000 | 25.00000 | |
| Bakery wares (07.0): | 10.00000 | 50.00000 | |
| Meat and meat products, including poultry and game (08.0): | 2.00000 | 10.00000 | |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | 2.00000 | 10.00000 | |
| Eggs and egg products (10.0): | - | - | |
| Sweeteners, including honey (11.0): | - | - | |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | 5.00000 | 25.00000 | |
| Foodstuffs intended for particular nutritional uses (13.0): | 10.00000 | 50.00000 | |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | 5.00000 | 25.00000 | |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 10.00000 | 50.00000 | |
| Ready-to-eat savouries (15.0): | 20.00000 | 100.00000 | |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | 5.00000 | 25.00000 | |
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): | |
| Flavouring Group Evaluation 214: alpha,beta-Unsaturated aldehydes and precursors from chemical subgroup 3.1 of FGE.19: Cinnamyl derivatives[1] View page or View pdf | |
| Flavouring Group Evaluation 15, Revision 2 (FGE.15Rev2): Aryl-substituted saturated and unsaturated primary alcohol/aldehyde/acid/ester derivatives from chemical group 22 View page or View pdf | |
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 61792-12-9 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 5367766 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 2 |
| [(E)-3-phenylprop-2-enyl] (E)-2-methylbut-2-enoate | |
| Chemidplus: | 0061792129 |
| [(E)-3-phenylprop-2-enyl] (Z)-2-methylbut-2-enoate | |
| Chemidplus: | 084254875 |
References:
| [(E)-3-phenylprop-2-enyl] (E)-2-methylbut-2-enoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 61792-12-9 |
| Pubchem (cid): | 5367766 |
| Pubchem (sid): | 135071096 |
| [(E)-3-phenylprop-2-enyl] (Z)-2-methylbut-2-enoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 84254-87-5 |
| Pubchem (cid): | 6432955 |
| Pubchem (sid): | 43026715 |
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 |
| HMDB (The Human Metabolome Database): | Search |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| leather russian leather | FR | |
| woody | FR |
Occurrence (nature, food, other): note
| champaca concrete @ 0.05% Data GC Search Trop Picture |
Synonyms:
| 2- | butenoic acid, 2-methyl-, (2E)-3-phenyl-2-propen-1-yl ester, (2E)- |
| 2- | butenoic acid, 2-methyl-, 3-phenyl-2-propenyl ester, (2E)- |
| cinnamyl 2-methyl crotonate | |
| cinnamyl 2-methylcrotonate | |
| 3- | phenyl allyl 2-methyl crotonate |
| 3- | phenyl-2-propenyl (E)-2-methyl-2-butenoate |
| (2E)-3- | phenylprop-2-en-1-yl (2E)-2-methylbut-2-enoate |
| [(E)-3- | phenylprop-2-enyl] (E)-2-methylbut-2-enoate |
| tiglic acid cinnamyl ester |