| InChI : | InChI=1/C12H18O/c1-6-3-10-9-4-8(5-11(9)13)12(10)7(6)2/h3,7-13H,4-5H2,1-2H3 |
| InChIKey : | WJYPOGJOWNDSPL-UHFFFAOYAG |
| SMILES : | CC1C2C3CC(C2C=C1C)C(C3)O |
| cas number : | 94248-21-2 |
| (EINECS) number : | 304-293-9 |
| molar refractivity : | 52.82 ± 0.3 cm3 |
| parachor : | 410.7 ± 6.0 cm3 |
| index of refraction : | 1.542 ± 0.02 |
| surface tension : | 36.0 ± 3.0 dyne/cm |
| density : | 1.063 ± 0.06 g/cm3 |
| polarizability : | 20.94 ± 0.5 10-24cm3 |
| XlogP : | 2.50 |
| molecular weight : | 178.2707200 (IUPAC) |
| formula : | C12 H18 O |
| NMR Predictor : | Predict |
| |
| |
Suppliers :
|
| IFF : | Dimethyl Cyclormol
≥97% (sum of isomers)
Odor: Diffusive camphoraceous note with the characteristic earthy, mushroomy effect of patchouli. |
| Penta : | hexahydrodimethyl-4,7-methano(1H)inden-5-ol
|
organoleptics :
|
| odor type : | herbal |
| odor strength : | medium |
odor description :¹
at 100.00 %. | camphor earthy patchouli woody herbal |
| odor sample from : | International Flavors & Fragrances Inc. |
| substantivity : | 400 Hour(s) |
properties :
|
| appearence : | yellow viscous liquid |
| assay : | 95.00 to 100.00 %
|
| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.03500 to 1.04300 @ 25.00 °C.
|
| pounds per gallon - calc. : | 8.612 to 8.679
|
| specific gravity : | 1.03600 to 1.04400 @ 20.00 °C.
|
| pounds per gallon - calc. : | 8.631 to 8.697
|
| refractive index : | 1.51600 to 1.52400 @ 20.00 °C.
|
| flash point : | > 212.00 °F. TCC ( > 100.00 °C. )
|
| logP (o/w) : | 3.11 |
safety :
|
| Oral Toxicity(LD50) : |
| |
Not determined
|
| Dermal Toxicity(LD50) : |
| |
Not determined
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| Inhalation Toxicity(LC50) : |
| |
Not determined
|
| |
safety in use :
|
| |
| recommendation for patchouli indene usage levels up to : |
| | 5.0000 % in the fragrance concentrate.
|
| recommendation for patchouli indene usage levels up to : |
| | not for flavor use.
|
safety references :
|
| EPI System : | view |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| (EINECS) number : | 304-293-9 |
| chemidplus : | 094248212 |
| EPA Substance Registry Services : | 94248-21-2 |
references :
|
| pubchem : | 3798463 |
other :
|
| reference : | Luebke, William tgsc, (1990)¹ |