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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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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 |
| (EINECS) number : | 209-659-0 |
| cas number : | 589-75-3 |
| 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 |
| molecular weight : | 200.3177600 |
| formula : | C12 H24 O2 |
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| fda reg : | unspecified |
h. number : | 2915.90.0000 |
| organoleptics : | |
| odor type : | buttery |
| odor strength : | medium |
odor description :
at 100.00 %. | butter ether herbal dank |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 95.00 - 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 - 241.00 °C. @ 760.00 mm Hg
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| logp : | 4.79 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 210.00 °F. TCC ( 98.89 °C. )
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| recommendation for butyl octanoate usage levels up to : |
| | 5.0000 % in the fragrance concentrate.
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| recommendation for butyl octanoate usage levels up to : |
| | not for flavor use.
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| safety links : | |
| (EINECS) number : | 209-659-0 |
| chemidplus : | 000589753 |
| epa-srs : | 589-75-3 |
| dtp/nci : | 23740 |
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| other : | |
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| references : | |
| pubchem : | 154821 |
| NIST Chemistry WebBook : | 659015881 |
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