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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | 3-methyl-7-propan-2-ylbicyclo[2.2.2]oct-2-ene-5-carbaldehyde |
| InChI : | InChI=1/C13H20O/c1-8(2)12-6-13-9(3)4-10(12)5-11(13)7-14/h4,7-8,10-13H,5-6H2,1-3H3 |
| InChIKey : | OWFZJSXGDOTWSH-UHFFFAOYAG |
| SMILES : | CC1=CC2CC(C1CC2C(C)C)C=O |
| cas number : | 67845-30-1 |
| (EINECS) number : | 267-308-7 |
| molar refractivity : | 59.72 ± 0.3 cm3 |
| parachor : | 474.2 ± 6.0 cm3 |
| index of refraction : | 1.531 ± 0.02 |
| surface tension : | 36.5 ± 3.0 dyne/cm |
| density : | 0.996 ± 0.06 g/cm3 |
| polarizability : | 23.67 ± 0.5 10-24cm3 |
| XlogP : | 4.00 |
| XlogP3-AA : | 2.60 |
| molecular weight : | 192.2973000 (IUPAC) |
| formula : | C13 H20 O |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
Suppliers :
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| Penta : | 7-formyl-5-isopropyl-2-methylbicyclo[2,2,2]oct-2-ene
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| Vigon : | MACEAL
Odor: FRESH, GREEN, SPICY, NUTMEG. |
organoleptics :
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| odor type : | green |
| odor strength : | high , recommend smelling in a 1.00 % solution or less |
odor description :¹ at 1.00 % in dipropylene glycol. | fresh grassy oily green spicy |
| odor sample from : | Naarden International |
| substantivity : | 400 Hour(s) |
properties :
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| appearence : | yellow clear liquid |
| assay : | 96.00 to 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.96300 @ 25.00 °C.
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| boiling point : | 262.00 to 263.00 °C. @ 760.00 mm Hg
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| flash point : | > 200.00 °F. TCC ( > 93.33 °C. )
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| logP (o/w) : | 3.97 |
safety :
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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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| recommendation for bark carbaldehyde usage levels up to : |
| | 0.5000 % in the fragrance concentrate.
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| recommendation for bark carbaldehyde usage levels up to : |
| | not for flavor use.
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safety references :
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| EPI System : | view |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| | 3-methyl-7-propan-2-ylbicyclo[2.2.2]oct-2-ene-5-carbaldehyde
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| (EINECS) number : | 267-308-7 |
| chemidplus : | 067845301 |
| EPA Substance Registry Services : | 67845-30-1 |
references :
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| | 3-methyl-7-propan-2-ylbicyclo[2.2.2]oct-2-ene-5-carbaldehyde
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| pubchem : | 684080 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| reference : | Luebke, William tgsc, (1987)¹ |
| CosIng : | cosmetic data |