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fumaric acid, dihexyl ester
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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): 04-17700 DIHEXYL FUMARATE
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| CAS Number: | 19139-31-2 |  3D/inchi
|
| Other(deleted CASRN): | 197167-00-3 | |
| ECHA EINECS - REACH Pre-Reg: | 242-833-4 | |
| FDA UNII: | 6B3O343SS2 | |
| Nikkaji Web: | J34.714K | |
| XlogP3-AA: | 4.90 (est) | |
| Molecular Weight: | 284.39596000 | |
| Formula: | C16 H28 O4 | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
| Also(can) Contains: | dihexyl (Z)-fumarate | |
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 |
| FDA Mainterm (IAUFC): | 19139-31-2 ; HEXYL FUMARATE |
Physical Properties:
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 98.00 to 100.00 % sum of isomers |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 354.00 to 355.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.000020 mmHg @ 25.00 °C. (est) |
| Flash Point: | 333.00 °F. TCC ( 167.22 °C. ) |
| logP (o/w): | 5.525 (est) |
| Soluble in: | |
| alcohol | |
| water, 0.08899 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: herbal | |
| Odor Strength: | medium |
| Substantivity: | 128 hour(s) at 100.00 % |
| fresh floral green magnolia plastic herbal cortex | |
| Odor Description: at 100.00 %. | fresh floral green magnolia plastic herbal cortex Luebke, William tgsc, (1989) |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
perfuming agents |
Suppliers:
| Frinton Laboratories |
| For experimental / research use only. |
| Dihexyl Fumarate |
| Penta International |
| DIHEXYL FUMARATE |
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. | |
| Oral/Parenteral Toxicity: | |
| Not determined | |
| 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 | |||
| Recommendation for dihexyl (E)-fumarate usage levels up to: | |||
| 4.0000 % in the fragrance concentrate. | |||
| Recommendation for dihexyl (E)-fumarate 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): | 19139-31-2 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 5271574 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 2 |
| dihexyl (E)-but-2-enedioate | |
| Chemidplus: | 0019139312 |
References:
| dihexyl (E)-but-2-enedioate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 19139-31-2 |
| Pubchem (cid): | 5271574 |
| Pubchem (sid): | 134993672 |
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 Indirect Additives used in Food Contact Substances: | View |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | Search |
| Export Tariff Code: | 2917.19.7055 |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| deodorants | ||
| odor eleminator |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| (2E)-2- | butene dioic acid dihexyl ester |
| (E)-2- | butene dioic acid dihexyl ester |
| 2- | butenedioic acid, dihexyl ester, (2E)- |
| dihexyl (2E)-but-2-enedioate | |
| dihexyl (2E)but-2-ene-1,4-dioate | |
| dihexyl (E)-but-2-ene dioate | |
| dihexyl (E)-but-2-enedioate | |
| (E)- | dihexyl fumarate |
| dihexyl trans-2-butene dioate | |
| dihexyl trans-butenedioate | |
| (E)- | fumaric acid dihexyl ester |
| fumaric acid, dihexyl ester |