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| IUPAC name : | methyl decanoate |
| InChI : | InChI=1/C11H22O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h3-10H2,1-2H3 |
| InChIKey : | YRHYCMZPEVDGFQ-UHFFFAOYAQ |
| SMILES : | CCCCCCCCCC(=O)OC |
| cas number : | 110-42-9 |
| (EINECS) number : | 203-766-6 |
| beilstein number : | 1759170 |
| coe number : | 2304 |
| fl. number : | 09.251 |
| molar refractivity : | 54.78 ± 0.3 cm3 |
| parachor : | 494.5 ± 4.0 cm3 |
| index of refraction : | 1.426 ± 0.02 |
| surface tension : | 28.7 ± 3.0 dyne/cm |
| density : | 0.872 ± 0.06 g/cm3 |
| polarizability : | 21.71 ± 0.5 10-24cm3 |
| XlogP : | 4.50 |
| molecular weight : | 186.2911800 |
| formula : | C11 H22 O2 |
| BioActivity Analysis : | 70152 |
| NMR Predictor : | Predict |
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| export tariff code : | 2915.90.8000 |
| fda reg : | unspecified |
Suppliers :
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| Cargill - Alfrebro : | METHYL DECANOATE
natural, Kosher |
| Grau Aromatics : | METHYL-CAPRATE (METHYL-DECANOATE)
NI, Kosher |
| Inoue : | METHYL DECANOATE
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| Penta : | methyl caprate
natural |
| Penta : | methyl decanoate
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| Sigma-Aldrich-SAFC : | Methyl decanoate
≥99% Odor: oily; fruity; wine-like |
organoleptics :
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| odor type : | fermented |
| odor strength : | medium |
odor description : at 100.00 %. | oily wine fruity floral |
properties :
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| appearence : | colorless clear liquid |
| assay : | 99.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.87300 @ 25.00 °C.
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| refractive index : | 1.42500 @ 20.00 °C.
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| melting point : | -14.00 to -11.00 °C. @ 0.00 mm Hg
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| boiling point : | 108.00 °C. @ 10.00 mm Hg
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| boiling point : | 224.00 °C. @ 760.00 mm Hg
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| vapor pressure : | 0.03700 mm/Hg @ 25.00 °C. |
| flash point : | 202.00 °F. TCC ( 94.44 °C. )
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| logP (o/w) : | 4.41 |
safety :
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| Oral Toxicity(LD50) : |
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Oral-Rat >2000.00 mg/kg (Kästner, 2000b)
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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 methyl decanoate usage levels up to : |
| | 1.0000 % in the fragrance concentrate.
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safety references :
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| EPI System : | view |
| NLM Hazardous Substances Data Bank : | search |
| Chemical Carcinogenesis Research Information System : | Search |
| Env. Mutagen Info. Center : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| WGK Germany : | 1 |
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| | methyl decanoate
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| (EINECS) number : | 203-766-6 |
| RTECS : | HD9830000 for 110-42-9 |
| chemidplus : | 000110429 |
| EPA Substance Registry Services : | 110-42-9 |
| dtp/nci : | 3713 |
references :
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| | methyl decanoate
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| fl. number : | 09.251 |
| NIST Chemistry WebBook : | 1244957113 |
| pubchem : | 151168 |
other :
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| VCF-Online: | VCF Volatile Compounds in Food |