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| IUPAC name : | 1-phenylbutan-1-one |
| InChI : | InChI=1/C10H12O/c1-2-6-10(11)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3 |
| InChIKey : | FFSAXUULYPJSKH-UHFFFAOYAC |
| SMILES : | CCCC(=O)C1=CC=CC=C1 |
| (EINECS) number : | 207-799-7 |
| cas number : | 495-40-9 |
| beilstein number : | 0508305 |
| fl. number : | 07.193 |
| molar refractivity : | 45.54 ± 0.3 cm3 |
| parachor : | 372.0 ± 4.0 cm3 |
| index of refraction : | 1.503 ± 0.02 |
| surface tension : | 34.0 ± 3.0 dyne/cm |
| density : | 0.962 ± 0.06 g/cm3 |
| polarizability : | 18.05 ± 0.5 10-24cm3 |
| xlogp : | 2.70 |
| molecular weight : | 148.2016800 |
| formula : | C10 H12 O |
| BioActivity Analysis : | 74158 |
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| export tariff code : | 2914.30 |
| fda reg : | unspecified |
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Suppliers :
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| Sigma-Aldrich-SAFC : | Butyrophenone |
| | ≥99% |
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organoleptics :
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| odor type : | camphoreous |
| odor strength : | medium |
odor description :
at 100.00 %. | camphor cherry walnut hazelnut |
properties :
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| appearence : | colorless clear liquid |
| assay : | 99.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.02100 @ 25.00 °C.
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| refractive index : | 1.51950 @ 20.00 °C.
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| melting point : | 11.00 - 13.00 °C. @ 760.00 mm Hg
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| boiling point : | 220.00 - 222.00 °C. @ 760.00 mm Hg
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| logp : | 2.77 |
safety :
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| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 192.00 °F. TCC ( 88.89 °C. )
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| recommendation for butyrophenone usage levels up to : | | | 0.2000 % in the fragrance concentrate.
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| recommendation for butyrophenone usage levels up to : | | | not for flavor use.
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safety links :
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| (EINECS) number : | 207-799-7 |
| chemidplus : | 000495409 |
| epa-srs : | 495-40-9 |
| dtp/nci : | 8463 |
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other :
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references :
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| fl. number : | 07.193 |
| pubchem : | 153584 |
| NIST Chemistry WebBook : | 64567334 |
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| synonyms : |
| | butanoyl benzene | | | butyrophenone | | 1- | phenyl butan-1-one | | | phenyl propyl ketone | | 1- | phenyl-1-butanone | | | propyl phenyl ketone |
| soluble in : |
| | alcohol | | | water, 333 mg/L @ 25C |
| 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 |
| | allyl benzoate |
| | allyl isovalerate |
| | almond oil bitter |
| iso | amyl 2-methyl butyrate |
| | amyl butyrate |
| iso | amyl nonanoate |
| alpha- | angelica lactone |
| para- | anisyl acetate |
| para- | anisyl propionate |
| | benzaldehyde |
| | benzaldehyde / methyl anthranilate schiff's base |
| | benzaldehyde glycrol acetal |
| | benzothiazole |
| | benzyl cinnamate |
| | bornyl isobutyrate |
| | boronia butenal |
| | bread thiophene |
| | cherry oxyacetate |
| | cherry pentenoate |
| | cherry propanol |
| | chocolate pyrazine A |
| | chocolate pyrazine B |
| | cinnamyl isovalerate |
| | cocoa pyrazine |
| 3,6- | cocoa pyrazine |
| | coconut absolute |
| | coffee furanone |
| | coumane |
| | coumarin |
| para- | cresyl laurate |
| | cyclohexyl cinnamate |
| | cyclohexyl formate |
| | 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 |
| 2,4- | dimethyl benzaldehyde |
| | 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 |
| | ethyl 2-phenyl-3-furoate |
| | ethyl benzoyl acetate |
| | ethyl methyl-para-tolyl glycidate |
| 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 |
| | heptyl isobutyrate |
| 2,4- | hexadien-1-ol |
| 3,4- | hexane dione |
| 2- | hexyl-5 or 6-keto-1,4-dioxane |
| 2'- | hydroxyacetophenone |
| 4- | hydroxybenzoic acid |
| | maraniol |
| | menthofuran |
| (E)-para- | methoxycinnamaldehyde |
| para- | methoxycinnamaldehyde |
| 2- | methoxypyrazine |
| | methyl (E)-cinnamate |
| | methyl 2-(methyl thio) acetate |
| 2'- | methyl acetophenone |
| 2- | methyl anisole |
| para- | methyl anisole |
| 2- | methyl butyraldehyde |
| | methyl cinnamate |
| | methyl furfuracrylate |
| 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 |
| laevo- | perillaldehyde |
| | popcorn pyrimidine |
| | powdery ketone |
| | propionaldehyde |
| 2- | propionyl thiazole |
| 2- | propionyl-2-thiazoline |
| | propyl benzoate |
| iso | propyl pyrazine |
| 2- | propyl pyridine |
| | raspberry ketone methyl ether |
| | saffron pyranone |
| | shoyu pyrazine |
| 2,3,5,6- | tetramethyl pyrazine |
| | tobacco butenal |
| | tolualdehydes (mixed o/m/p) |
| meta- | tolyl aldehyde |
| para- | tolyl aldehyde |
| | tonka bean absolute |
| | tonka bean resinoid |
| 2,4,5- | trimethyl oxazole |
| 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 : |
| | balsam | | | cherry | | | herbal | | | nut | | | nut hazelnut | | | nut walnut | | | woody |
| natural occurrence in : |
| not found in nature |
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