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cetane
Notes:
Isol. from oil of Piper longum (long pepper)
Hexadecane (also called cetane) is an alkane hydrocarbon with the chemical formula C16H34. Hexadecane consists of a chain of 16 carbon atoms, with three hydrogen atoms bonded to the two end carbon atoms, and two hydrogens bonded to each of the 14 other carbon atoms. It has 10,359 constitutional isomers.
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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): 544-76-3 Hexadecane 95%
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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): 08-20400 HEXADECANE
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TCI AMERICA Moving Your Chemistry Forward We continuously strive to advance our technology. With East & West Coast distribution centers, count on TCI to deliver products quickly and reliably. Over 30,000 Reagents available today in benchtop to bulk quantities. We also offer custom synthesis solutions. Sign up for a TCI account today for fast and free shipping! Tokyo Chemical Industry Co., Ltd. (TCI) is a leading worldwide manufacturer of specialty organic chemicals founded in 1946. TCI provides organic laboratory chemicals as well as pharmaceutical, cosmetic and functional materials. More than 70 years of synthesis experience and multi-purpose plants enable TCI to offer more than 30,000 products as well as custom synthesis. US Email: Sales Email: Technical Support Voice: 1-800-423-8616 Fax: 1- 888-520-1075 Facebook Twitter Instagram Linkedin Product(s): S0288 Hexadecane [Standard Material for GC] >99.5%(GC)
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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): 501022 Hexadecane 99%
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| CAS Number: | 544-76-3 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 208-878-9 | |
| FDA UNII: | F8Z00SHP6Q | |
| Nikkaji Web: | J2.648D | |
| Beilstein Number: | 1736592 | |
| MDL: | MFCD00008998 | |
| XlogP3: | 8.30 (est) | |
| Molecular Weight: | 226.44698000 | |
| Formula: | C16 H34 | |
| BioActivity Summary: | listing | |
| NMR Predictor: | Predict (works with chrome 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:
| Assay: | 96.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.77300 to 0.77600 @ 20.00 °C. |
| Pounds per Gallon - (est).: | 6.440 to 6.465 |
| Refractive Index: | 1.43300 to 1.43600 @ 20.00 °C. |
| Melting Point: | 18.00 to 20.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 286.00 to 287.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.005000 mmHg @ 25.00 °C. (est) |
| Vapor Density: | 7.8 ( Air = 1 ) |
| Flash Point: | 275.00 °F. TCC ( 135.00 °C. ) |
| logP (o/w): | 8.859 (est) |
| Soluble in: | |
| alcohol | |
| water, 0.0009193 mg/L @ 25 °C (est) | |
| water, 9.00E-04 mg/L @ 25 °C (exp) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| 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. |
| Hexadecane 95% |
| EMD Millipore |
| For experimental / research use only. |
| n-Hexadecane |
| Penta International |
| HEXADECANE |
| Sigma-Aldrich |
| For experimental / research use only. |
| Hexadecane purum, ≥98.0% (GC) |
| TCI AMERICA |
| For experimental / research use only. |
| Hexadecane [Standard Material for GC] >99.5%(GC) |
| Vigon International |
| Hexadecane 99%
Odor: MILD WAXY |
Safety Information:
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
|
R 38 - Irritating to skin. S 02 - Keep out of the reach of children. S 24 - Avoid contact with skin. S 36/37 - Wear suitable protective clothing and gloves. | |
| 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: | |
|
intravenous-mouse LDLo 9821 mg/kg BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) Acta Pharmacologica et Toxicologica. Vol. 37, Pg. 56, 1975. | |
| 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 hexadecane flavor usage levels up to: | |||
| not for flavor use. | |||
Safety References:
| EPI System: | View |
| Chemical Carcinogenesis Research Information System: | Search |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 544-76-3 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 11006 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 1 |
| hexadecane | |
| Chemidplus: | 0000544763 |
| EPA/NOAA CAMEO: | hazardous materials |
| RTECS: | ML9200000 for cas# 544-76-3 |
References:
| hexadecane | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 544-76-3 |
| Pubchem (cid): | 11006 |
| Pubchem (sid): | 134976869 |
| Flavornet: | 544-76-3 |
| Pherobase: | View |
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 |
| CHEBI: | View |
| CHEMBL: | View |
| Golm Metabolome Database: | Search |
| KEGG (GenomeNet): | C14499 |
| HMDB (The Human Metabolome Database): | HMDB33792 |
| FooDB: | FDB011952 |
| Export Tariff Code: | 2901.10.5000 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
| Formulations/Preparations: grade: technical, astm | |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
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Synonyms:
| cetane | |
| N- | cetane |
| N- | hexadecane |