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pent-4-enonic acid, 2,3-anhydro-4,5-dideoxy-3-C-methyl-5-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, methyl ester, (4E)-
Notes:
None found
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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): 67905-40-2 METHYL ALPHA IONONE GLYCIDATE 70.0% (sum of isomers
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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): 13-52800 METHYL IONONE ALPHA GLYCIDATE
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| CAS Number: | 67905-40-2 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 267-660-1 | |
| FDA UNII: | Search | |
| Nikkaji Web: | J287.689B | |
| XlogP3-AA: | 3.10 (est) | |
| Molecular Weight: | 264.36488000 | |
| Formula: | C16 H24 O3 | |
| NMR Predictor: | Predict (works with chrome, Edge or firefox) | |
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 |
Physical Properties:
| Appearance: | yellow clear liquid (est) |
| Assay: | 92.00 to 100.00 % sum of isomers |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 1.00000 to 1.02000 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 8.321 to 8.487 |
| Refractive Index: | 1.48800 to 1.49900 @ 20.00 °C. |
| Boiling Point: | 120.00 °C. @ 1.00 mm Hg |
| Vapor Pressure: | 0.000309 mmHg @ 25.00 °C. (est) |
| Vapor Density: | >1 ( Air = 1 ) |
| Flash Point: | 230.00 °F. TCC ( 110.00 °C. ) |
| logP (o/w): | 4.884 (est) |
| Soluble in: | |
| alcohol | |
| water, 0.3702 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: fruity | |
| Odor Strength: | medium |
| Substantivity: | > 336 hour(s) at 100.00 % |
| fruity raspberry prune | |
| Odor Description: at 100.00 %. | fruity raspberry prune |
| Odor and/or flavor descriptions from others (if found). | |
| Bedoukian Research | |
| METHYL ALPHA IONONE GLYCIDATE ≥70.0% (sum of isomers), Kosher, Special Order | |
| Odor Description: | A long-lasting raspberry odor with a nuance of prune Used in perfume blends for raspberry character. |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
perfuming agents |
Suppliers:
| BOC Sciences |
| For experimental / research use only. |
| METHYL ALPHA IONONE GLYCIDATE 70.0% (sum of isomers |
| Penta International |
| METHYL IONONE ALPHA GLYCIDATE |
Safety Information:
| 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. | |
| Oral/Parenteral Toxicity: | |
|
oral-rat LD50 > 5000 mg/kg Used in perfume blends for raspberry character. | |
| Dermal Toxicity: | |
|
skin-rabbit LD50 > 5000 mg/kg Used in perfume blends for raspberry character. | |
| 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 | |||
| Recommendation for prune glycidate usage levels up to: | |||
| 5.0000 % in the fragrance concentrate. | |||
| Recommendation for prune glycidate flavor usage levels up to: | |||
| not for flavor use. | |||
Safety References:
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 67905-40-2 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 5472296 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 2 |
| 3-methyl-3-[(E)-2-(2,6,6-trimethyl-1-cyclohex-2-enyl)ethenyl]oxirane-2-carboxylate | |
| Chemidplus: | 0067905402 |
References:
| 3-methyl-3-[(E)-2-(2,6,6-trimethyl-1-cyclohex-2-enyl)ethenyl]oxirane-2-carboxylate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 67905-40-2 |
| Pubchem (cid): | 5472296 |
| Pubchem (sid): | 135063034 |
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 |
| Export Tariff Code: | 2918.99.2090 |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| berry | FR | |
| blueberry | FR | |
| guava | FR | |
| jasmin | FR | |
| mango | FR | |
| prune | FR | |
| raisin | FR | |
| raspberry | FR | |
| strawberry | FR |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| methyl (4E)-2,3-anhydro-4,5-dideoxy-3-methyl-5-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-4-enonate | |
| methyl 3-methyl-3-(2-(2,6,6-trimethyl cyclohex-2-en-1-yl)vinyl) oxirane-2-carboxylate | |
| methyl 3-methyl-3-(2-(2,6,6-trimethyl cyclohex-2-enyl)vinyl) oxirane-2-carboxylate | |
| methyl 3-methyl-3-(2-(2,6,6-trimethylcyclohex-2-en-1-yl)vinyl)oxirane-2-carboxylate | |
| methyl 3-methyl-3-[2-(2,6,6-trimethylcyclohex-2-en-1-yl)vinyl]oxirane-2-carboxylate | |
| methyl a-ionone glycidate | |
| methyl alpha ionone glycidate | |
| methyl alpha-ionone glycidate | |
| methyl methyl trimethyl cyclohexenyl vinyl oxirane-2-carboxylate | |
| 3- | methyl-3-[(E)-2-(2,6,6-trimethyl-1-cyclohex-2-enyl)ethenyl]oxirane-2-carboxylate |
| oxiranecarboxylic acid, 3-methyl-3-(2-(2,6,6-trimethyl-2-cyclohexen-1-yl)ethenyl)-, methyl ester | |
| pent-4-enonic acid, 2,3-anhydro-4,5-dideoxy-3-C-methyl-5-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, methyl ester, (4E)- | |
| prune glycidate |