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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): 04-34000 1,1-DIMETHOXYCYCLODODECANE
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Symrise AG Always Insiring More Symrise aroma molecules & cosmetic ingredients for unique and innovative fragrances, flavors and cosmetics. We are globally recognized as a leading provider of fragrances, flavors and active ingredients as well as aroma chemicals for the perfume, cosmetic, pharmaceutical, food and beverage industries. We combine our knowledge about consumers’ ever- changing needs with creativity and ground-breaking technologies. In doing so, we concentrate on the development of solutions that provide our customers with added value. We ensure sustained value creation by allowing our employees and shareholders to share our Company’s success. US Email: Life Essentials Email: Aroma Molecules Voice: +49 5531 90 0 Product(s): 690230 Palisandal Stable in: body lotion (very good), shampoo (good), soap (good), ap roll-on (good), powder (very good), cleaner citric (poor), cleaner apc (good), bleach (poor).
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| 1,1-dimethoxycyclododecane (Click)
IUPAC Name: 1,1-dimethoxycyclododecane
Std.InChI: InChI=1S/C14H28O2/c1-15-14(16-2)12-10-8-6-4-3-5-7-9-11-13-14/h3-13H2,1-2H3
InChI: InChI=1/C14H28O2/c1-15-14(16-2)12-10-8-6-4-3-5-7-9-11-13-14/h3-13H2,1-2H3
Std.InChIKey: XXNCXSHVDVCRKB-UHFFFAOYSA-N
InChIKey: XXNCXSHVDVCRKB-UHFFFAOYAH
SMILES: COC1(CCCCCCCCCCC1)OC
| |
| CAS Number: | 950-33-4 |
| ECHA EC Number: | 213-448-9 |
| XlogP3-AA: | 4.90 (est) |
| Molecular Weight: | 228.37556000 |
| Formula: | C14 H28 O2 |
| NMR Predictor: | Predict |
| 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 |
| IBM Patents: | Obtain |
| Pubchem Patents: | Search |
Physical Properties:
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 90.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.94800 to 0.96300 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 7.888 to 8.013 |
| Refractive Index: | 1.47500 to 1.48500 @ 20.00 °C. |
| Boiling Point: | 143.00 °C. @ 4.00 mm Hg |
| Boiling Point: | 293.00 to 294.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.003000 mm/Hg @ 25.00 °C. (est) |
| Flash Point: | > 212.00 °F. TCC ( > 100.00 °C. ) |
| logP (o/w): | 4.566 (est) |
Organoleptic Properties:
| Odor Type: | woody |
| Odor Strength: | medium |
| Odor Description: at 100.00 %. | woody cedar patchouli ambergris |
| Substantivity: | 284 Hour(s) |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
perfuming agents |
Suppliers:
| Moellhausen |
| PALISANDAL
Nature-identical Odor: oft woody similar to cedar, weak amber, balsamic, with patchouli note |
| Penta International |
| 1,1-DIMETHOXYCYCLODODECANE |
| Symrise |
| Palisandal
Odor: warm, woody in a cedar direction, but slightly camphoraceous, with a distinct patchouli note and ambergris nuances Use: Stable in: body lotion (very good), shampoo (good), soap (good), ap roll-on (good), powder (very good), cleaner citric (poor), cleaner apc (good), bleach (poor). |
Safety Information:
| European information : | |||
| Most important hazard(s): | |||
| Xi N - Irritant, Dangerous for the environment. | |||
|
R 36/38 - Irritating to skin and eyes. R 51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. 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 37/39 - Wear suitable gloves and eye/face protection. S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet. | |||
| 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 > 2000 mg/kg | |||
| Dermal Toxicity: | |||
| Not determined | |||
| Inhalation Toxicity: | |||
| Not determined | |||
Safety in Use Information:
| Category: | fragrance agents | ||
| Recommendation for woody dodecane usage levels up to: | |||
| 2.0000 % in the fragrance concentrate. | |||
| Recommendation for woody dodecane flavor usage levels up to: | |||
| not for flavor use. | |||
Safety References:
| EPI System: | View |
| Chemicalize.org: | Calculate predicted properties |
| EPA Substance Registry Services (TSCA): | 950-33-4 |
| EPA ACToR: | Toxicology Data |
| National Institute of Allergy and Infectious Diseases: | Data |
| WISER: | UN 3082 |
| WGK Germany: | 2 |
| 1,1-dimethoxycyclododecane | |
| Chemidplus: | 0000950334 |
References:
| 1,1-dimethoxycyclododecane | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 950-33-4 |
| Pubchem (cid): | 70368 |
| Pubchem (sid): | 135026950 |
Other Information:
| (IUPAC): | Atomic Weights of the Elements 2009 |
| (IUPAC): | Atomic Weights of the Elements 2009 (pdf) |
| Videos: | The Periodic Table of Videos |
| tgsc: | Atomic Weights use for this web site |
| (IUPAC): | Periodic Table of the Elements |
| Export Tariff Code: | 2911.00.10 |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| ambergris | FR | |
| cedar | FR | |
| patchouli | FR | |
| sage | FL/FR | |
| vetiver | FR | |
| woody | FR |
Natural Occurrence in: note
| not found in nature |
Synonyms:
| cyclododecanal dimethyl acetal | |||
| cyclododecane, 1,1-dimethoxy- | |||
| dimethoxycyclododecane | |||
| 1,1- | dimethoxycyclododecane | ||
| metakomax | |||
| palisandal | |||
| woody dodecane |
click on the picture(s) below to interact with the 3D model | |
| |
| Soluble in: | |
| alcohol | |
| water, 0.4307 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |