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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | 1-(1,1,2,3,3,6-hexamethyl-2H-inden-5-yl)ethanone |
| InChI : | InChI=1/C17H24O/c1-10-8-14-15(9-13(10)11(2)18)17(6,7)12(3)16(14,4)5/h8-9,12H,1-7H3 |
| InChIKey : | VDBHOHJWUDKDRW-UHFFFAOYAE |
| SMILES : | CC1C(C2=C(C1(C)C)C=C(C(=C2)C)C(=O)C)(C)C |
| cas number : | 15323-35-0 |
| (EINECS) number : | 239-360-0 |
| molar refractivity : | 76.63 ± 0.3 cm3 |
| parachor : | 621.7 ± 4.0 cm3 |
| index of refraction : | 1.494 ± 0.02 |
| surface tension : | 31.1 ± 3.0 dyne/cm |
| density : | 0.928 ± 0.06 g/cm3 |
| polarizability : | 30.37 ± 0.5 10-24cm3 |
| XlogP : | 5.50 |
| XlogP3-AA : | 4.80 |
| molecular weight : | 244.3718600 |
| formula : | C17 H24 O |
| BioActivity Analysis : | 80332 |
| NMR Predictor : | Predict |
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| export tariff code : | 2914.39.9000 |
| fda reg : | unspecified |
Suppliers :
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| John D. Walsh : | Phantolid Crystals
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| Penta : | fixolide
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| PFW : | PHANTOLID® CRYSTALS
≥95% (sum of isomers) Odor: has a clean sweet musk odour |
organoleptics :
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| odor type : | musk |
| odor strength : | medium , recommend smelling in a 10.00 % solution or less |
odor description :¹ at 10.00 % in dipropylene glycol. | strong sweet musk amber powdery dry fruity |
| odor sample from : | PFW Aroma Chemicals |
| substantivity : | 384 Hour(s) |
properties :
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| appearence : | off-white crystals or solid |
| assay : | 97.00 to 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| melting point : | 37.00 to 58.00 °C. @ 760.00 mm Hg
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| boiling point : | 393.00 °C. @ 760.00 mm Hg
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| vapor pressure : | 0.02400 mm/Hg @ 25.00 °C. |
| flash point : | > 212.00 °F. TCC ( > 100.00 °C. )
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| logP (o/w) : | 5.80 |
safety :
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| most important hazard(s) : | Xi - Irritant |
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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.
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| Oral Toxicity(LD50) : |
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Not determined
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| Dermal Toxicity(LD50) : |
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Not determined
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| Inhalation Toxicity(LC50) : |
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Not determined
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safety in use :
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| IFRA critical Effect : | Phototoxicity |
| IFRA fragrance material specification : |
| | For applications on areas of skin exposed to sun, excluding bath
preparations, soaps and other rinse-off products, limit use to 2% in the
finished cosmetic product. Based on the phototoxic potential showing
no effects at 10% in human photo-toxicity tests (IFRA guidelines). |
| limits in the finished product for - "leave on the skin contact" : |
| | 2.0000 % Restriction.
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| limits in the finished product for - "wash off the skin contact" : |
| | 6.0000 % Recommendation.
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| limits in the finished product for - "no skin contact" : |
| | 10.0000 % Recommendation.
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| recommendation for musk indane usage levels up to : |
| | 10.0000 % in the fragrance concentrate.
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| recommendation for musk indane usage levels up to : |
| | not for flavor use.
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safety references :
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| EPI System : | view |
| IFRA : | IFRA - ( Found under : 5-Acetyl-1,1,2,3,3,6-hexamethyl indan ) |
| Chemical Carcinogenesis Research Information System : | Search |
| Cancer Citations : | Search |
| Toxicology Citations : | Search |
| Env. Mutagen Info. Center : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
| SCCNFP : | opinion |
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| WGK Germany : | 3 |
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| | 1-(1,1,2,3,3,6-hexamethyl-2H-inden-5-yl)ethanone
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| (EINECS) number : | 239-360-0 |
| chemidplus : | 015323350 |
| EPA Substance Registry Services : | 15323-35-0 |
| dtp/nci : | 16827 |
references :
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| | 1-(1,1,2,3,3,6-hexamethyl-2H-inden-5-yl)ethanone
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| NIST Chemistry WebBook : | 647494464 |
| pubchem : | 668348 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| reference : | Luebke, William tgsc, (1985)¹ |
| CosIng : | cosmetic data |
| Household Products : | Search |