methoxycyclododecane (Click)
IUPAC Name: methoxycyclododecane
Std.InChI: InChI=1S/C13H26O/c1-14-13-11-9-7-5-3-2-4-6-8-10-12-13/h13H,2-12H2,1H3
InChI: InChI=1/C13H26O/c1-14-13-11-9-7-5-3-2-4-6-8-10-12-13/h13H,2-12H2,1H3
Std.InChIKey: WDSOYUINLRIGNV-UHFFFAOYSA-N
InChIKey: WDSOYUINLRIGNV-UHFFFAOYAL
SMILES: COC1CCCCCCCCCCC1
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CAS Number: | 2986-54-1 |
ECHA EC Number: | 221-053-8 |
XlogP3: | 4.30 (est) |
Molecular Weight: | 198.34942000 |
Formula: | C13 H26 O |
NMR Predictor: | Predict |
Category: | fragrance agents |
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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 |
PubMed: | Search |
NCBI: | Search |
Physical Properties:
Appearance: | colorless to pale yellow clear liquid (est) |
Assay: | 98.00 to 100.00 %
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Food Chemicals Codex Listed: | No |
Specific Gravity: | 0.91000 to 0.91500 @ 25.00 °C.
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Pounds per Gallon - (est).: | 7.572 to 7.614
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Refractive Index: | 1.47200 to 1.47500 @ 20.00 °C.
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Melting Point: | 8.00 to 10.00 °C. @ 760.00 mm Hg
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Boiling Point: | 96.00 to 100.00 °C. @ 2.00 mm Hg
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Vapor Pressure: | 0.041000 mm/Hg @ 25.00 °C. (est) |
Flash Point: | 248.00 °F. TCC ( 120.00 °C. )
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logP (o/w): | 5.156 (est) |
Organoleptic Properties:
Odor Type: | woody |
Odor Strength: | medium |
Odor Description: at 100.00 %. | cedar woody dry musk amber patchouli tobacco Luebke, William tgsc, (1987) |
Odor sample from: | Harrmann & Reimer Corporation |
Substantivity: | 76 Hour(s) |
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Cosmetic Information:
Suppliers:
Moellhausen |
PALISANDIN
Nature-identical Odor: woody note, slightly reminiscent of cedar, earthy with a patchouli note, powdery and iris-like |
Penta International |
METHYL CYCLODODECYL ETHER
| Symrise |
Palisandin
Odor: woody, cedarwood-like, earthy with patchouli and powdery iris and tobacco accents Use: Stable in: body lotion (good), shampoo (good), soap (very good), ap roll-on (good), powder (good), cleaner citric (good), cleaner apc (very good), bleach (poor). |
Safety Information:
European information : |
Most important hazard(s): | Xi N - Irritant, Dangerous for the environment. |
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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.
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Hazards identification |
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Classification of the substance or mixture |
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) |
None found. |
GHS Label elements, including precautionary statements |
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Pictogram | |
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Hazard statement(s) |
None found. |
Precautionary statement(s) |
None found. |
Oral/Parenteral Toxicity: | |
oral-mouse LD50 > 2000 mg/kg Harrmann & Reimer Corporation
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Dermal Toxicity: | |
Not determined
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Inhalation Toxicity: | |
Not determined
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Safety in Use Information:
Category: | fragrance agents |
Recommendation for woody ether usage levels up to: | | 3.0000 % in the fragrance concentrate.
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Recommendation for woody ether flavor usage levels up to: | | not for flavor use.
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Safety References:
References:
Other Information:
Potential Blenders and core components note
Potential Uses:
Natural Occurrence in: note
Synonyms:
| corps 749 | | cyclododecane, methoxy- | | cyclododecyl methyl ether | | dodecyl methyl ether | | methoxycyclododecane | | methyl cyclododecyl ether | | methyl dodecyl ether | | palisandin | | woody ether |
Articles:
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Soluble in: |
| alcohol | | water, 12 mg/L @ 20 °C (exp) |
Insoluble in: |
| water |
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