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| IUPAC name : | 1-(1-methoxyethoxy)hexane |
| InChI : | InChI=1/C9H20O2/c1-4-5-6-7-8-11-9(2)10-3/h9H,4-8H2,1-3H3 |
| InChIKey : | COARODKCNGNOQZ-UHFFFAOYAW |
| SMILES : | CCCCCCOC(C)OC |
| cas number : | 54340-90-8 |
| (EINECS) number : | 259-114-6 |
| molar refractivity : | 47.19 ± 0.3 cm3 |
| parachor : | 426.9 ± 4.0 cm3 |
| index of refraction : | 1.410 ± 0.02 |
| surface tension : | 25.3 ± 3.0 dyne/cm |
| density : | 0.842 ± 0.06 g/cm3 |
| polarizability : | 18.70 ± 0.5 10-24cm3 |
| XlogP : | 2.90 |
| XlogP3-AA : | 2.80 |
| molecular weight : | 160.2539000 (IUPAC) |
| formula : | C9 H20 O2 |
| NMR Predictor : | Predict |
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| export tariff code : | 2911.00.5000 |
| fda reg : | unspecified |
Suppliers :
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| Nanjing : | acetaldehyde methyl hexyl acetal
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organoleptics :
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| odor type : | fruity |
| odor strength : | medium |
odor description :¹ at 100.00 %. | green cortex herbal nasturtium |
| odor sample from : | J. Manheimer, Inc. |
| substantivity : | 4 Hour(s) |
properties :
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| appearence : | colorless clear liquid |
| assay : | 95.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.82500 to 0.84500 @ 25.00 °C.
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| pounds per gallon - calc. : | 6.865 to 7.031
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| refractive index : | 1.39500 to 1.41500 @ 20.00 °C.
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| acid value : | 1.00 max. KOH/g
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| flash point : | 126.00 °F. TCC ( 52.22 °C. )
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| logP (o/w) : | 2.74 |
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 acetaldehyde methyl hexyl acetal usage levels up to : |
| | 2.0000 % in the fragrance concentrate.
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| recommendation for acetaldehyde methyl hexyl acetal usage levels up to : |
| | not for flavor use.
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safety references :
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| EPI System : | view |
| EPA Chem. Sub. Inventory : | Yes |
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| | 1-(1-methoxyethoxy)hexane
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| (EINECS) number : | 259-114-6 |
| chemidplus : | 054340908 |
| EPA Substance Registry Services : | 54340-90-8 |
references :
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| | 1-(1-methoxyethoxy)hexane
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| pubchem : | 685600 |
other :
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| reference : | Luebke, William tgsc, (1986)¹ |