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| IUPAC name : | 7-methyloctyl propanoate |
| InChI : | InChI=1/C12H24O2/c1-4-12(13)14-10-8-6-5-7-9-11(2)3/h11H,4-10H2,1-3H3 |
| InChIKey : | KOODESFNSDRUNJ-UHFFFAOYAW |
| SMILES : | CCC(=O)OCCCCCCC(C)C |
| cas number : | 65155-45-5 |
| (EINECS) number : | 265-573-3 |
| molar refractivity : | 59.37 ± 0.3 cm3 |
| parachor : | 531.6 ± 4.0 cm3 |
| index of refraction : | 1.428 ± 0.02 |
| surface tension : | 28.3 ± 3.0 dyne/cm |
| density : | 0.869 ± 0.06 g/cm3 |
| polarizability : | 23.53 ± 0.5 10-24cm3 |
| XlogP : | 4.60 |
| molecular weight : | 200.3177600 |
| formula : | C12 H24 O2 |
| NMR Predictor : | Predict |
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| export tariff code : | 2915.50.3000 |
| fda reg : | unspecified |
organoleptics :
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| odor type : | floral |
| odor strength : | medium |
odor description : at 100.00 %. | floral lavender herbal woody |
properties :
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| appearence : | colorless clear liquid |
| assay : | 98.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| boiling point : | 231.00 to 232.00 °C. @ 760.00 mm Hg
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| flash point : | 201.00 °F. TCC ( 93.89 °C. )
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| logP (o/w) : | 4.78 |
safety :
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| most important hazard(s) : | None - None found. |
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S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes.
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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 nonisyl propionate usage levels up to : |
| | 5.0000 % in the fragrance concentrate.
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| recommendation for nonisyl propionate 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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| WGK Germany : | 2 |
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| | 7-methyloctyl propanoate
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| (EINECS) number : | 265-573-3 |
| chemidplus : | 065155455 |
| EPA Substance Registry Services : | 65155-45-5 |
references :
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| | 7-methyloctyl propanoate
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| pubchem : | 680782 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| CosIng : | cosmetic data |