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alpha-butylcinnamaldehyde
Notes:
2-Butyl-3-phenyl-2-propen-1-al is a food flavorant.
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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): 7492-44-6 alpha-Butylcinnamaldehyde
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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): 02-56500 ALPHA-BUTYL CINNAMALDEHYDE
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| Fragrance Demo Formulas | ||
| CAS Number: | 7492-44-6 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 231-320-0 | |
| FDA UNII: | 79UB87S3JE | |
| CoE Number: | 127 | |
| XlogP3-AA: | 3.70 (est) | |
| Molecular Weight: | 188.26972000 | |
| Formula: | C13 H16 O | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
| CAS Number: | 7492-44-6 (E) |  3D/inchi
|
| FDA UNII: | 79UB87S3JE | |
| Beilstein Number: | 3241532 | |
| XlogP3-AA: | 3.70 (est) | |
| Molecular Weight: | 188.26972000 | |
| Formula: | C13 H16 O | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
| CAS Number: | 7492-44-6 (Z) |  3D/inchi
|
| Nikkaji Web: | J69.543B | |
| XlogP3-AA: | 3.70 (est) | |
| Molecular Weight: | 188.26972000 | |
| Formula: | C13 H16 O | |
| NMR Predictor: | Predict (works with chrome 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: | 684 alpha-butylcinnamaldehyde |
| DG SANTE Food Flavourings: | 05.039 alpha-butylcinnamaldehyde |
| FEMA Number: | 2191 alpha-butylcinnamaldehyde |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 7492-44-6 ; ALPHA-BUTYLCINNAMALDEHYDE |
| 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: | pale yellow to yellow clear oily liquid (est) |
| Assay: | 98.00 to 100.00 % sum of isomers |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.97500 to 0.99000 @ 20.00 °C. |
| Pounds per Gallon - (est).: | 8.122 to 8.247 |
| Refractive Index: | 1.56300 to 1.56900 @ 20.00 °C. |
| Boiling Point: | 265.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 144.00 °C. @ 3.00 mm Hg |
| Acid Value: | 5.00 max. KOH/g |
| Vapor Pressure: | 0.001000 mmHg @ 25.00 °C. (est) |
| Flash Point: | > 200.00 °F. TCC ( > 93.33 °C. ) |
| logP (o/w): | 3.847 (est) |
| Soluble in: | |
| alcohol | |
| water, 26.42 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| Stability: | |
| fabric softener | |
| soap | |
| Similar Items: note | |
| alpha-amyl cinnamaldehyde | |
| alpha-heptyl cinnamaldehyde | |
| alpha-hexyl cinnamaldehyde | |
| alpha-methyl cinnamaldehyde | |
Organoleptic Properties:
| Odor Type: floral | |
| Odor Strength: | medium |
| Substantivity: | 168 hour(s) at 100.00 % |
| floral green jasmin lily herbal | |
| Odor Description: at 100.00 %. | floral green jasmin lily 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. |
| alpha-Butylcinnamaldehyde |
| Nagar Haveli Perfumes & Aromatics |
| Butyl Cinnamic Aldehyde
Odor: Floral green jasmin lily herbal |
| Parchem |
| alpha-Butyl Cinnamaldehyde |
| Penta International |
| ALPHA-BUTYL CINNAMALDEHYDE |
Safety Information:
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
|
R 36/37/38 - Irritating to eyes, respiratory system, and skin. 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: | |
| 8 % solution: no irritation or sensitization. | |
| Oral/Parenteral Toxicity: | |
|
oral-rat LD50 4400 mg/kg Food and Cosmetics Toxicology. Vol. 18, Pg. 657, 1980. | |
| Dermal Toxicity: | |
|
skin-rabbit LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 18, Pg. 657, 1980. | |
| 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 | |||
| IFRA Critical Effect: | Dermal sensitization and systemic toxicity | ||
| IFRA: | View Standard | ||
| View IFRA Standards Library for complete information. | |||
| Please review Amendment 49 IFRA documentation for complete information. | |||
| IFRA RESTRICTION LIMITS IN THE FINISHED PRODUCT (%): | |||
| Category 1: Products applied to the lips | |||
| 0.077 % | |||
| Category 2: Products applied to the axillae | |||
| 0.023 % | |||
| Category 3: Products applied to the face/body using fingertips | |||
| 0.46 % | |||
| Category 4: Products related to fine fragrance | |||
| 0.43 % | |||
| Category 5: Products applied to the face and body using the hands (palms), primarily leave-on | |||
| Category 5A: Body lotion products applied to the body using the hands (palms), primarily leave-on | |||
| 0.11 % | |||
| Category 5B: Face moisturizer products applied to the face using the hands (palms), primarily leave-on | |||
| 0.11 % | |||
| Category 5C: Hand cream products applied to the hands using the hands (palms), primarily leave-on | |||
| 0.11 % | |||
| Category 5D: Baby Creams, baby Oils and baby talc | |||
| 0.036 % | |||
| Category 6: Products with oral and lip exposure | |||
| 0.25 % | |||
| Category 7: Products applied to the hair with some hand contact | |||
| Category 7A: Rinse-off products applied to the hair with some hand contact | |||
| 0.88 % | |||
| Category 7B: Leave-on products applied to the hair with some hand contact | |||
| 0.88 % | |||
| Category 8: Products with significant anogenital exposure | |||
| 0.036 % | |||
| Category 9: Products with body and hand exposure, primarily rinse off | |||
| 0.84 % | |||
| Category 10: Household care products with mostly hand contact | |||
| Category 10A: Household care excluding aerosol products (excluding aerosol/spray products) | |||
| 0.84 % | |||
| Category 10B: Household aerosol/spray products | |||
| 3.00 % | |||
| Category 11: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate | |||
| Category 11A: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure | |||
| 0.036 % | |||
| Category 11B: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure | |||
| 0.036 % | |||
| Category 12: Products not intended for direct skin contact, minimal or insignificant transfer to skin | |||
| No Restriction | |||
| Notes: | |||
| IFRA FLAVOR REQUIREMENTS: | |||
Due to the possible ingestion of small amounts of fragrance ingredients from their use in products in Categories 1 and 6, materials must not only comply with IFRA Standards but must also be recognized as safe as a flavoring ingredient as defined by the IOFI Code of Practice (www.iofi.org). For more details see chapter 1 of the Guidance for the use of IFRA Standards. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.012 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.07 (μg/capita/day) | ||
| Structure Class: | II | ||
| 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: | 2.00000 | 8.00000 | |
| beverages(nonalcoholic): | 0.50000 | 1.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | 1.00000 | 2.80000 | |
| fruit ices: | 1.00000 | 2.80000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | 2.00000 | 8.00000 | |
| 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: | - | - | |
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): | |
| 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 | |
| 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): | 7492-44-6 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 24111 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 2 |
| 2-benzylidenehexanal | |
| Chemidplus: | 0007492446 |
| (2E)-2-benzylidenehexanal | |
| (2Z)-2-benzylidenehexanal | |
References:
| 2-benzylidenehexanal | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 7492-44-6 |
| Pubchem (cid): | 24111 |
| Pubchem (sid): | 29291202 |
| (2E)-2-benzylidenehexanal | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 7492-44-6 |
| Pubchem (cid): | 5385520 |
| Pubchem (sid): | 134987721 |
| (2Z)-2-benzylidenehexanal | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 7492-44-6 |
| Pubchem (cid): | 5853596 |
| Pubchem (sid): | 34040617 |
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 |
| HMDB (The Human Metabolome Database): | HMDB37292 |
| FooDB: | FDB016311 |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| alpine bouquet | FR | |
| azalea | FR | |
| blue grass | FR | |
| blue mist | FR | |
| clematis | FR | |
| country meadow | FR | |
| cyclamen | FR | |
| daffodil | FR | |
| elder flower | FR | |
| fetes | FR | |
| freesia | FR | |
| green | FR | |
| heather | FR | |
| herbal | FR | |
| hyacinth | FR | |
| hydrangea | FR | |
| jasmin | FR | |
| jonquil | FR | |
| lilac | FR | |
| lily | FR | |
| lily calla lily | FR | |
| lily ginger lily | FR | |
| lily of the valley | FR | |
| lily tiger lily | FR | |
| lily water lily | FR | |
| lotus | FR | |
| mango flower | FR | |
| narcissus | FR | |
| passion blossom | FR | |
| privet blossom | FR | |
| wallflower | FR |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| 2- | benzylidene hexanal |
| 2- | benzylidenehexanal |
| alpha- | butycinnamaldehyde |
| butyl cinnamic aldehyde | |
| alpha- | butyl-beta-phenyl acrolein |
| alpha- | butylcinnamaldehyde |
| hexanal, 2-(phenylmethylene)- | |
| 2-( | phenyl methylene) hexanal |
| 2-( | phenylmethylene)hexanal |