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| IUPAC name : | 1-(2,3,4,5-tetrahydropyridin-6-yl)ethanone |
| InChI : | InChI=1/C7H11NO/c1-6(9)7-4-2-3-5-8-7/h2-5H2,1H3 |
| InChIKey : | GNZWXNKZMHJXNU-UHFFFAOYAY |
| SMILES : | CC(=O)C1=NCCCC1 |
| cas number : | 27300-27-2 |
| fl. number : | 14.079 |
| molar refractivity : | 35.97 ± 0.5 cm3 |
| parachor : | 287.7 ± 8.0 cm3 |
| index of refraction : | 1.524 ± 0.05 |
| surface tension : | 35.8 ± 7.0 dyne/cm |
| density : | 1.06 ± 0.1 g/cm3 |
| polarizability : | 14.26 ± 0.5 10-24cm3 |
| XlogP : | 0.30 |
| XlogP3-AA : | -0.10 |
| molecular weight : | 125.1683400 (IUPAC) |
| formula : | C7 H11 N O |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
Suppliers :
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| Nanjing : | 1-(3,4,5,6-tetrahydro-pyridin-2-yl)-ethanone
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organoleptics :
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| odor strength : | high ,
recommend smelling in a 0.01 % solution or less |
odor description :
at 0.01 % in propylene glycol. | caramel |
properties :
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| assay : | 95.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| boiling point : | 200.00 to 203.00 °C. @ 760.00 mm Hg
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| flash point : | 171.00 °F. TCC ( 77.22 °C. )
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| logP (o/w) : | -0.71 |
safety :
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| Oral Toxicity(LD50) : | | |
Not determined
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| Dermal Toxicity(LD50) : | | |
Not determined
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| Inhalation Toxicity(LC50) : | | |
Not determined
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safety in use :
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| recommendation for 2-acetyl-3,4,5,6-tetrahydropyridine usage levels up to : | | | not for fragrance use.
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safety references :
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| EPI System : | view |
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| | 1-(2,3,4,5-tetrahydropyridin-6-yl)ethanone
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| chemidplus : | 27300-27-2 |
| EPA Substance Registry Services : | 27300-27-2 |
references :
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| | 1-(2,3,4,5-tetrahydropyridin-6-yl)ethanone
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| fl. number : | 14.079 |
| NIST Chemistry WebBook : | 175904866 |
| pubchem : | 10516535 |
other :
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| VCF-Online: | VCF Volatile Compounds in Food |
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synonyms :
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| 1-(3,4,5,6- | tetrahydro-2-pyridinyl) ethanone | | 1-(3,4,5,6- | tetrahydropyridin-2-yl)ethanone | | 1-(2,3,4,5- | tetrahydropyridin-6-yl)ethanone |
soluble in :
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| | alcohol |
insoluble in :
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| | water |
(odor and/or flavor) blends with :
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| | acetoin |
| 2- | acetyl furan |
| | acetyl propionyl |
| 3- | acetyl-2,5-dimethyl furan |
| 2- | acetyl-3,5(or 6)-dimethyl pyrazine |
| | allyl 2-furoate |
| iso | amyl 3-(2-furan) propionate |
| | benzyl disulfide |
| | butyl levulinate |
| 2-oxo | butyric acid |
| gamma- | butyrolactone |
| | caramel dione |
| | caramel furanone |
| | caramel pentadione |
| | cyclohexyl acetic acid |
| | diacetyl |
| 2,5- | diethyl tetrahydrofuran |
| alpha,alpha- | dimethyl anisyl acetone |
| 2,3- | dimethyl pyrazine |
| | ethyl (E)-crotonate |
| | ethyl 2-hydroxy-2-methyl butyrate |
| | ethyl 4-pentenoate |
| | ethyl cyclopentenolone |
| | ethyl maltol |
| | ethyl pyruvate |
| (E)- | ethyl tiglate |
| | ethyl vanillin |
| 5- | ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-one |
| 5- | ethyl-3,4,5,6-tetramethyl cyclohexen-2-one |
| | fenugreek absolute |
| | furfuryl acetone |
| | furfuryl alcohol |
| | furfuryl octanoate |
| | furfuryl valerate |
| | geranyl crotonate |
| gamma- | heptalactone |
| 3,4- | hexane dione |
| 5- | hydroxymethyl furfural |
| | immortelle absolute |
| | levulinic acid |
| | maltol |
| | maltyl propionate |
| | mango furanone |
| | maple furanone |
| | maple lactone |
| | menthone lactone |
| | mesitene lactone |
| 3- | methyl butyl 2-furyl butyrate |
| | methyl cyclopentenolone |
| 5- | methyl furfural |
| 4- | methyl-2,6-dimethoxyphenol |
| | nutty cyclohexenone |
| | peanut oxazole |
| 2- | pentanoyl furan |
| | rosefuran |
| | shoyu furanone |
| dextro- | sorbitol |
| | strawberry furanone |
| | strawberry furanone acetate |
| | tetrahydrofurfuryl acetate |
| | tetrahydrofurfuryl alcohol |
| 2- | thiophene thiol |
| (E)- | tiglic acid |
| | toffee furanone |
| | tonka bean absolute |
| | tonka bean resinoid |
| (E,E)-2,4- | undecadien-1-al |
| 2,4- | undecadien-1-al |
| | vanilla oleoresin |
| | vanillyl isobutyrate |
natural occurrence in :
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| found in nature |
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