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| IUPAC name : | 5-hexyl-1,4-dioxan-2-one |
| InChI : | InChI=1/C10H18O3/c1-2-3-4-5-6-9-7-13-10(11)8-12-9/h9H,2-8H2,1H3 |
| InChIKey : | KBOAQIXMCPQXIP-UHFFFAOYAS |
| SMILES : | CCCCCCC1COC(=O)CO1 |
| cas number : | 65504-97-4 |
| fema number : | 2574 |
| jecfa number : | 1486 |
| molar refractivity : | 49.64 ± 0.3 cm3 |
| parachor : | 444.7 ± 6.0 cm3 |
| index of refraction : | 1.439 ± 0.02 |
| surface tension : | 30.9 ± 3.0 dyne/cm |
| density : | 0.987 ± 0.06 g/cm3 |
| polarizability : | 19.68 ± 0.5 10-24cm3 |
| xlogp : | 2.60 |
| molecular weight : | 186.2481200 |
| formula : | C10 H18 O3 |
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| fda reg : | unspecified |
h. number : | 2932.29.6000 |
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| organoleptics : | |
| odor type : | nutty |
| odor strength : | high ,
recommend smelling in a 1.00 % solution or less |
odor description :
at 1.00 % in dipropylene glycol. | sweet nutty |
| properties : | |
| appearence : | colorless to pale yellow clear liquid |
| assay : | 97.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.28000 - 1.28600 @ 25.00 °C.
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| pounds per gallon - calc. : | 10.651 to 10.701
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| refractive index : | 1.48600 - 1.49200 @ 20.00 °C.
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| boiling point : | 104.00 °C. @ 15.00 mm Hg
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| logp : | 1.61 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 245.00 °F. TCC ( 118.33 °C. )
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| recommendation for 2-hexyl-5 or 6-keto-1,4-dioxane usage levels up to : | | | 0.3000 % in the fragrance concentrate.
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| safety links : | |
| chemidplus : | 065504974 |
| epa-srs : | 65504-97-4 |
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| other : | |
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| references : | |
| jecfa number : | 1486 |
| pubchem : | 3749999 |
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| synonyms : |
| 5 or 6- | hexyl-1,4-dioxan-2-one | | 1 or 2- | hexyl-2-hydroxyethoxyacetic acid delta-lactone | | 2- | hexyl-5 or 6-keto-1,4-dioxane |
| soluble in : |
| | alcohol | | | water, slightly |
| insoluble in : |
| | water |
| (odor and/or flavor) blends with : |
| | acetyl propionyl |
| 2- | acetyl pyrazine |
| 3- | acetyl pyridine |
| 2- | acetyl pyrrole |
| | acetyl pyrroline |
| 2- | acetyl thiazole |
| 2- | acetyl-2-thiazoline |
| 5- | acetyl-2,3-dihydro-1,4-thiazine |
| 3- | acetyl-2,5-dimethyl furan |
| 2- | acetyl-3-ethyl pyrazine |
| 2- | acetyl-3-methyl pyrazine |
| 2- | acetyl-3,5-dimethyl pyrazine |
| 2- | acetyl-5-methyl furan |
| | allyl 2-ethyl butyrate |
| iso | amyl nonanoate |
| alpha- | angelica lactone |
| | benzothiazole |
| | bornyl isobutyrate |
| | boronia butenal |
| | butyramide |
| | butyroin |
| | chocolate pyrazine A |
| | chocolate pyrazine B |
| | cocoa pyrazine |
| 3,6- | cocoa pyrazine |
| | coconut absolute |
| | coffee furanone |
| | coumane |
| | coumarin |
| para- | cresyl laurate |
| | cyclohexyl methyl pyrazine |
| (E,E)-2,4- | decadien-1-al |
| 2,5- | diethyl thiazole |
| 3,5- | diethyl-2-methyl pyrazine |
| 2,5- | diethyl-3-methyl pyrazine |
| 2,5- | diethyl-4-methyl thiazole |
| | difurfuryl ether |
| 6,7- | dihydro-2,3-dimethyl-5H-cyclopentapyrazine |
| | dihydroxyacetophenone |
| | dimethyl dihydrocyclopentapyrazine |
| 2,3- | dimethyl pyrazine |
| 2,5- | dimethyl pyrazine |
| 2,6- | dimethyl pyridine |
| 2,5- | dimethyl thiazole |
| 4,5- | dimethyl thiazole |
| 2,5- | dimethyl thiophene |
| 4,5- | dimethyl-2-ethyl-3-thiazoline |
| 2,4- | dimethyl-5-vinyl thiazole |
| 2- | ethoxythiazole |
| | ethyl 2-hydroxy-2-methyl butyrate |
| 2- | ethyl pyrazine |
| 1- | ethyl-2-acetyl pyrrole |
| 5- | ethyl-2-methyl pyridine |
| 2- | ethyl-3-methoxypyrazine |
| 2- | ethyl-4-methyl thiazole |
| (Z+E)-5- | ethyl-4-methyl-2-(2-butyl) thiazoline |
| (Z+E)-5- | ethyl-4-methyl-2-(2-methyl propyl) thiazoline |
| | filbert heptenone |
| | filbert pyrazine |
| | furfuryl thioacetate |
| 3-(2- | furyl) acrolein |
| | hazelnut pyrazine |
| (E,E)-2,4- | heptadien-1-ol |
| gamma- | heptalactone |
| 2- | heptyl furan |
| 2,4- | hexadien-1-ol |
| 3,4- | hexane dione |
| 4- | hydroxybenzoic acid |
| | maraniol |
| | menthofuran |
| 2- | methoxypyrazine |
| | methyl 2-(methyl thio) acetate |
| 2- | methyl anisole |
| para- | methyl anisole |
| 2- | methyl butyraldehyde |
| 2- | methyl pyrazine |
| 2- | methyl quinoxaline |
| 5- | methyl quinoxaline |
| 4- | methyl thiazole |
| 2- | methyl thio-3,5 or 6-methyl pyrazine |
| 2-( | methyl thio) acetaldehyde |
| | methyl valerate |
| 3- | methyl-2-buten-1-al |
| 2- | methyl-3-(methyl thio) pyrazine |
| 2- | methyl-3-propyl pyrazine |
| 2- | methyl-3,(5 or 6)-ethoxypyrazine |
| 2- | methyl-5-isopropyl pyrazine |
| (E,E)-2,4- | nonadien-1-al |
| (E,Z)-2,6- | nonadien-1-yl acetate |
| | nutty cyclohexenone |
| | nutty quinoxaline |
| | nutty thiazole |
| | peanut dithiazine |
| | peanut oxazole |
| | popcorn pyrimidine |
| | propionaldehyde |
| 2- | propionyl thiazole |
| 2- | propionyl-2-thiazoline |
| | propyl benzoate |
| iso | propyl pyrazine |
| 2- | propyl pyridine |
| | saffron pyranone |
| | shoyu pyrazine |
| | sulfuryl butyrate |
| | sulfuryl decanoate |
| | sulfuryl formate |
| | sulfuryl hexanoate |
| | sulfuryl isobutyrate |
| | sulfuryl octanoate |
| | sulfuryl propionate |
| 2,3,5,6- | tetramethyl pyrazine |
| | tobacco butenal |
| | tonka bean absolute |
| | tonka bean resinoid |
| 2,3,5- | trimethyl pyrazine |
| | tropical thiazole |
| | valeraldehyde |
| | valeraldehyde dibutyl acetal |
| | valeraldehyde propylene glycol acetal |
| 2- | vinyl pyrazine |
| | vinyl sulfurol |
| | whiskey lactone |
| (odor and/or flavor) used in : |
| | nut |
| natural occurrence in : |
| not found in nature |
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