| Right Click Jmol Molecule For More Options. (Safari 1.2 (v125) Compatible). Jmol is a free download found Here. | ||||||||||||||
| IUPAC name : | prop-2-yn-1-ol; 1-(2,6,6-trimethyl-1-cyclohex-2-enyl)pentan-3-one | |||||||||||||
| InChI : | InChI=1/C14H24O.C3H4O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4;1-2-3-4/h7,13H,5-6,8-10H2,1-4H3;1,4H,3H2 | |||||||||||||
| InChIKey : | BKHCAESJENSNLE-UHFFFAOYAJ | |||||||||||||
| SMILES : | CCC(=O)CCC1C(=CCCC1(C)C)C.C#CCO | |||||||||||||
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| export tariff code : | 2932.99.8090 | |||||||||||||
| fda reg : | unspecified | |||||||||||||
Suppliers : | ||||||||||||||
| IFF : | Grisalva
≥94% (sum of isomers) Odor: Animal, Ambergris, Leather The character of ambergris captured in a single chemical of remarkable strength. Diffusive and long lasting. Excellent perfomance/cost ratio. | |||||||||||||
| John D. Walsh : | Grisalva | |||||||||||||
| Penta : | grisalva | |||||||||||||
organoleptics : | ||||||||||||||
| odor type : | amber | |||||||||||||
| odor strength : | medium , recommend smelling in a 10.00 % solution or less | |||||||||||||
| odor description: at 10.00 % in dipropylene glycol. | ambergris animal dry amber fresh metallic Luebke, William tgsc, (1992) | |||||||||||||
| odor sample from : | International Flavors & Fragrances Inc. | |||||||||||||
| substantivity : | 400 Hour(s) | |||||||||||||
properties : | ||||||||||||||
| appearence : | yellow clear liquid | |||||||||||||
| assay : | 94.00 to 100.00 % sum of isomers | |||||||||||||
| Food Chemicals Codex Listed : | No | |||||||||||||
| specific gravity : | 0.96100 to 0.96900 @ 25.00 °C. | |||||||||||||
| pounds per gallon - calc. : | 7.996 to 8.063 | |||||||||||||
| specific gravity : | 0.96200 to 0.97000 @ 20.00 °C. | |||||||||||||
| pounds per gallon - calc. : | 8.014 to 8.081 | |||||||||||||
| refractive index : | 1.49300 to 1.50000 @ 20.00 °C. | |||||||||||||
| boiling point : | 273.00 to 274.00 °C. @ 760.00 mm Hg | |||||||||||||
| flash point : | 201.00 °F. TCC ( 93.89 °C. ) | |||||||||||||
| logP (o/w) : | 6.58 | |||||||||||||
safety : | ||||||||||||||
| 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. | ||||||||||||||
| Oral Toxicity(LD50) : | ||||||||||||||
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Oral-Rat >5000.00 mg/kg | ||||||||||||||
| Dermal Toxicity(LD50) : | ||||||||||||||
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Skin-Rabbit >5000.00 mg/kg | ||||||||||||||
| Inhalation Toxicity(LC50) : | ||||||||||||||
| Not determined | ||||||||||||||
safety in use : | ||||||||||||||
| Category : | fragrance agents | |||||||||||||
| recommendation for amber furan fragrance usage levels up to : | ||||||||||||||
| 0.5000 % in the fragrance concentrate. | ||||||||||||||
| recommendation for amber furan flavor usage levels up to : | ||||||||||||||
| not for flavor use. | ||||||||||||||
safety references : | ||||||||||||||
| EPI System : | view | |||||||||||||
| Canada Domestic Sub. List : | Yes | |||||||||||||
| EPA Chem. Sub. Inventory : | Yes | |||||||||||||
| WGK Germany : | 3 | |||||||||||||
prop-2-yn-1-ol; 1-(2,6,6-trimethyl-1-cyclohex-2-enyl)pentan-3-one | ||||||||||||||
| (EINECS) number : | 271-889-2 | |||||||||||||
| chemidplus : | 068611234 | |||||||||||||
| EPA Substance Registry Services : | 68611-23-4 | |||||||||||||
references : | ||||||||||||||
prop-2-yn-1-ol; 1-(2,6,6-trimethyl-1-cyclohex-2-enyl)pentan-3-one | ||||||||||||||
| pubchem : | 740770 | |||||||||||||
Cosmetics : | ||||||||||||||
| Cosmetic uses : |
perfuming agents | |||||||||||||
other : | ||||||||||||||
| CosIng : | cosmetic data | |||||||||||||
| FMA : | listed | |||||||||||||
information only - not sold by The Good Scents Company.