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| IUPAC name : | methyl 3-hydroxyhexanoate |
| InChI : | InChI=1/C7H14O3/c1-3-4-6(8)5-7(9)10-2/h6,8H,3-5H2,1-2H3 |
| InChIKey : | ACCRBMDJCPPJDX-UHFFFAOYAC |
| SMILES : | CCCC(CC(=O)OC)O |
| (EINECS) number : | 244-261-0 |
| cas number : | 21188-58-9 |
| fema number : | 3508 |
| coe number : | 10812 |
| jecfa number : | 600 |
| fl. number : | 09.532 |
| molar refractivity : | 37.74 ± 0.3 cm3 |
| parachor : | 349.4 ± 4.0 cm3 |
| index of refraction : | 1.432 ± 0.02 |
| surface tension : | 33.3 ± 3.0 dyne/cm |
| density : | 1.005 ± 0.06 g/cm3 |
| polarizability : | 14.96 ± 0.5 10-24cm3 |
| xlogp : | 0.70 |
| molecular weight : | 146.1842600 |
| formula : | C7 H14 O3 |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
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Suppliers :
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| Fontarome Chemical : | METHYL 3 HYDROXY HEXANOATE |
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| Givaudan : | Methyl 3-hydroxyhexanoate |
| | ≥98%, NI, Kosher |
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| Sigma-Aldrich-SAFC : | Methyl 3-hydroxyhexanoate |
| | ≥97%, Kosher, FG |
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organoleptics :
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| odor type : | fruity |
| odor strength : | medium , recommend smelling in a 10.00 % solution or less |
odor description : at 10.00 % in dipropylene glycol. | sweet woody ripe fruity pineapple juicy oily |
properties :
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| appearence : | colorless to pale yellow clear liquid |
| assay : | 95.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.99400 - 1.01000 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.271 to 8.404
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| refractive index : | 1.41000 - 1.44000 @ 20.00 °C.
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| boiling point : | 220.00 - 221.00 °C. @ 760.00 mm Hg
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| logp : | 0.51 |
safety :
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| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 0.85 (μg/capita/day) |
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| flash point ( Deg. F. ) : | 185.00 °F. TCC ( 85.00 °C. )
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| recommendation for pineapple hydroxyhexanoate usage levels up to : |
| | 4.0000 % in the fragrance concentrate.
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| recommendation for pineapple hydroxyhexanoate usage levels up to : |
| | 5.0000 ppm in the flavor.
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safety links :
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| (EINECS) number : | 244-261-0 |
| chemidplus : | 21188-58-9 |
| epa-srs : | 21188-58-9 |
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other :
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references :
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| jecfa number : | 600 |
| fl. number : | 09.532 |
| pubchem : | 10513452 |
| NIST Chemistry WebBook : | 4014394441 |
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