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| IUPAC name : | butyl octanoate |
| InChI : | InChI=1/C12H24O2/c1-3-5-7-8-9-10-12(13)14-11-6-4-2/h3-11H2,1-2H3 |
| InChIKey : | PSXNDMJWRZYVTM-UHFFFAOYAA |
| SMILES : | CCCCCCCC(=O)OCCCC |
| cas number : | 589-75-3 |
| (EINECS) number : | 209-659-0 |
| coe number : | 742 |
| fl. number : | 09.209 |
| molar refractivity : | 59.41 ± 0.3 cm3 |
| parachor : | 534.3 ± 4.0 cm3 |
| index of refraction : | 1.429 ± 0.02 |
| surface tension : | 29.0 ± 3.0 dyne/cm |
| density : | 0.870 ± 0.06 g/cm3 |
| polarizability : | 23.55 ± 0.5 10-24cm3 |
| XlogP : | 4.70 |
| XlogP3-AA : | 4.40 |
| molecular weight : | 200.3177600 (IUPAC) |
| formula : | C12 H24 O2 |
| NMR Predictor : | Predict |
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| export tariff code : | 2915.90.0000 |
| fda reg : | unspecified |
Suppliers :
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| Grau Aromatics : | BUTYL-CAPRYLATE (BUTYL-OCTANOATE)
NI, Kosher |
| Inoue : | BUTYL OCTANOATE
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| Penta : | butyl octanoate
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| Pfaltz & Bauer : | Butyl Octanoate
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| TCI AMERICA : | Butyl n-Octanoate
>99.0%(GC) |
organoleptics :
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| odor type : | buttery |
| odor strength : | medium |
odor description : at 100.00 %. | butter ether herbal dank |
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 : | 0.86500 @ 25.00 °C.
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| refractive index : | 1.42500 @ 25.00 °C.
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| boiling point : | 240.00 to 241.00 °C. @ 760.00 mm Hg
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| vapor pressure : | 0.03100 mm/Hg @ 25.00 °C. |
| flash point : | 210.00 °F. TCC ( 98.89 °C. )
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| logP (o/w) : | 4.79 |
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 butyl octanoate usage levels up to : |
| | 5.0000 % in the fragrance concentrate.
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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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| | butyl octanoate
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| (EINECS) number : | 209-659-0 |
| chemidplus : | 000589753 |
| EPA Substance Registry Services : | 589-75-3 |
| dtp/nci : | 23740 |
references :
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| | butyl octanoate
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| fl. number : | 09.209 |
| NIST Chemistry WebBook : | 659015881 |
| pubchem : | 154821 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| CosIng : | cosmetic data |
| VCF-Online: | VCF Volatile Compounds in Food |