Articles:
| None found yet. Try the PubMed Search. |
acetoketal (Takasago)
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): 5406-58-6 Acetophenone neopentyl glycol
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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): 01-05450 ACETOKETAL
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| CAS Number: | 5406-58-6 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 226-466-7 | |
| FDA UNII: | 2P1XRA5CRY | |
| Nikkaji Web: | J135.012I | |
| XlogP3-AA: | 2.70 (est) | |
| Molecular Weight: | 206.28486000 | |
| Formula: | C13 H18 O2 | |
| 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:
| Appearance: | colorless clear liquid (est) |
| Assay: | 97.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 1.08400 to 1.09300 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 9.020 to 9.095 |
| Refractive Index: | 1.43000 to 1.43500 @ 20.00 °C. |
| Boiling Point: | 63.00 to 65.00 °C. @ 3.00 mm Hg |
| Vapor Pressure: | 0.009000 mmHg @ 25.00 °C. (est) |
| Flash Point: | > 200.00 °F. TCC ( > 93.33 °C. ) |
| logP (o/w): | 3.039 (est) |
| Soluble in: | |
| alcohol | |
| water, slightly | |
| water, 21.04 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| Stability: | |
| antiperspirant | |
| detergent | |
| fabric softener | |
| soap | |
Organoleptic Properties:
| Odor Type: woody | |
| Odor Strength: | medium |
| Substantivity: | 49 hour(s) at 100.00 % |
| woody sandalwood camphoreous hawthorn sweet | |
| Odor Description: at 100.00 %. | woody sandalwood camphor methyl acetophenone sweet Luebke, William tgsc, (1988) |
| 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. |
| Acetophenone neopentyl glycol |
| Inoue Perfumery |
| ACETOPHENONE NEOPENTYL GLYCOL ACETAL |
| Penta International |
| ACETOKETAL |
Safety Information:
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
|
R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. 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. | |
| 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 sandal glycol acetal usage levels up to: | |||
| 5.0000 % in the fragrance concentrate. | |||
| Recommendation for sandal glycol acetal 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): | 5406-58-6 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 79409 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 2 |
| 2-cyclohexyl-2,5,5-trimethyl-1,3-dioxane | |
| Chemidplus: | 0005406586 |
References:
| 2-cyclohexyl-2,5,5-trimethyl-1,3-dioxane | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 5406-58-6 |
| Pubchem (cid): | 79409 |
| Pubchem (sid): | 135038244 |
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 |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| acetoketal (Takasago) | |
| acetophenone neopentyl glycol acetal | |
| 2- | cyclohexyl-2,5,5-trimethyl-1,3-dioxane |
| 1,3- | dioxane, 2,5,5-trimethyl-2-phenyl- |
| m- | dioxane, 2,5,5-trimethyl-2-phenyl- |
| sandal glycol acetal | |
| 2,5,5- | trimethyl-2-phenyl-1,3-dioxane |
| 2,5,5- | trimethyl-2-phenyl-m-dioxane |
| 2,5,5- | trimethyl-2-phenyl-meta-dioxane |