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| IUPAC name : | 6-methoxy-2,6-dimethylheptanal |
| InChI : | InChI=1/C10H20O2/c1-9(8-11)6-5-7-10(2,3)12-4/h8-9H,5-7H2,1-4H3 |
| InChIKey : | QMXBURPYNWBMJR-UHFFFAOYAT |
| SMILES : | CC(CCCC(C)(C)OC)C=O |
| cas number : | 62439-41-2 |
| (EINECS) number : | 263-545-5 |
| molar refractivity : | 50.23 ± 0.3 cm3 |
| parachor : | 451.0 ± 4.0 cm3 |
| index of refraction : | 1.421 ± 0.02 |
| surface tension : | 27.0 ± 3.0 dyne/cm |
| density : | 0.871 ± 0.06 g/cm3 |
| polarizability : | 19.91 ± 0.5 10-24cm3 |
| XlogP : | 2.20 |
| molecular weight : | 172.2646000 (IUPAC) |
| formula : | C10 H20 O2 |
| NMR Predictor : | Predict |
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| export tariff code : | 2912.49.0000 |
| fda reg : | unspecified |
Suppliers :
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| John D. Walsh : | Methoxymelonal
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| Organica Aromatics : | METHOXY MELONOL
NLT 90%(Sum of isomers) |
| Penta : | 6-methoxy-2,6-dimethyl heptanal
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organoleptics :
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| odor type : | floral |
| odor strength : | medium |
odor description¹ : at 100.00 %. | floral fruity watery citrus melon green |
| odor sample from : | Bush Boake Allen Inc |
properties :
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| appearence : | colorless to pale yellow clear viscous liquid |
| assay : | 98.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.89100 to 0.89500 @ 20.00 °C.
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| pounds per gallon - calc. : | 7.423 to 7.456
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| refractive index : | 1.43200 to 1.43500 @ 20.00 °C.
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| boiling point : | 219.00 to 220.00 °C. @ 760.00 mm Hg
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| flash point : | 190.00 °F. TCC ( 87.78 °C. )
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| logP (o/w) : | 1.65 |
safety :
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| Oral Toxicity(LD50) : | |
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Oral-Rabbit 10000.00 mg/kg
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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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| Category : | fragrance agents |
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| recommendation for methoxymelonal fragrance usage levels up to : |
| | 1.0000 % in the fragrance concentrate.
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| recommendation for methoxymelonal flavor 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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| | 6-methoxy-2,6-dimethylheptanal |
| (EINECS) number : | 263-545-5 |
| chemidplus : | 062439412 |
| EPA Substance Registry Services : | 62439-41-2 |
references :
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| | 6-methoxy-2,6-dimethylheptanal |
| pubchem : | 689749 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| reference : | Luebke, William tgsc, (1995)¹ |
| CosIng : | cosmetic data |