| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). | ||||||||||||||||||||||||||||||||||||
| IUPAC name : | 4-(4-methoxyphenyl)butan-2-one | |||||||||||||||||||||||||||||||||||
| InChI : | InChI=1/C11H14O2/c1-9(12)3-4-10-5-7-11(13-2)8-6-10/h5-8H,3-4H2,1-2H3 | |||||||||||||||||||||||||||||||||||
| InChIKey : | PCBSXBYCASFXTM-UHFFFAOYAE | |||||||||||||||||||||||||||||||||||
| SMILES : | CC(=O)CCC1=CC=C(C=C1)OC | |||||||||||||||||||||||||||||||||||
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| fda reg : | 172.515 | h. number : | unspecified | |||||||||||||||||||||||||||||||||
| organoleptics : | ||||||||||||||||||||||||||||||||||||
| odor type : | fruity | |||||||||||||||||||||||||||||||||||
| odor strength : | medium | |||||||||||||||||||||||||||||||||||
| odor description : at 100.00 %. | sweet dried raspberry rose cherry fruity cassie absolute | |||||||||||||||||||||||||||||||||||
| taste description³ : | at 40.00 ppm. Floral, woody, ionone, raspberry, fruity, spice and berry | |||||||||||||||||||||||||||||||||||
| substantivity : | 324 Hour(s) | |||||||||||||||||||||||||||||||||||
| properties : | ||||||||||||||||||||||||||||||||||||
| appearence : | colorless to pale yellow clear oily liquid | |||||||||||||||||||||||||||||||||||
| assay : | 98.00 - 100.00 % | |||||||||||||||||||||||||||||||||||
| Food Chemicals Codex Listed : | Yes | |||||||||||||||||||||||||||||||||||
| specific gravity : | 1.04200 - 1.04800 @ 25.00 °C. | |||||||||||||||||||||||||||||||||||
| pounds per gallon - calc. : | 8.670 to 8.720 | |||||||||||||||||||||||||||||||||||
| refractive index : | 1.51700 - 1.52100 @ 20.00 °C. | |||||||||||||||||||||||||||||||||||
| melting point : | 8.00 °C. @ 760.00 mm Hg | |||||||||||||||||||||||||||||||||||
| boiling point : | 152.00 - 153.00 °C. @ 15.00 mm Hg | |||||||||||||||||||||||||||||||||||
| boiling point : | 276.00 - 278.00 °C. @ 760.00 mm Hg | |||||||||||||||||||||||||||||||||||
| logp : | 1.59 | |||||||||||||||||||||||||||||||||||
| shelf life : | 24.00 month(s) or longer if stored properly. | |||||||||||||||||||||||||||||||||||
| storage : | store in cool, dry place in tightly sealed containers, protected from heat and light. | |||||||||||||||||||||||||||||||||||
| safety : | ||||||||||||||||||||||||||||||||||||
| most important hazard(s) : | Xi - Irritant | |||||||||||||||||||||||||||||||||||
| Oral Toxicity(LD50) : |
Oral-Rat >5.00 gm/kg FCTXAV 12,929,1974 | |||||||||||||||||||||||||||||||||||
| Dermal Toxicity(LD50) : |
Skin-Rabbit >5.00 gm/kg FCTXAV 12,929,1974 | |||||||||||||||||||||||||||||||||||
| flash point ( Deg. F. ) : | > 230.00 °F. TCC ( > 110.00 °C. ) | |||||||||||||||||||||||||||||||||||
| recommendation for raspberry ketone methyl ether usage levels up to : | ||||||||||||||||||||||||||||||||||||
| 5.0000 % in the fragrance concentrate. | ||||||||||||||||||||||||||||||||||||
| recommendation for raspberry ketone methyl ether usage levels up to : | ||||||||||||||||||||||||||||||||||||
| 40.0000 ppm in the flavor. | ||||||||||||||||||||||||||||||||||||
| safety links : | ||||||||||||||||||||||||||||||||||||
| msds : | msds | |||||||||||||||||||||||||||||||||||
| (EINECS) number : | 203-184-2 | |||||||||||||||||||||||||||||||||||
| rtecs : | EL9085500 for 104-20-1 | |||||||||||||||||||||||||||||||||||
| chemidplus : | 000104201 | |||||||||||||||||||||||||||||||||||
| epa-srs : | 104-20-1 | |||||||||||||||||||||||||||||||||||
| dtp/nci : | 405366 | |||||||||||||||||||||||||||||||||||
| other : | ||||||||||||||||||||||||||||||||||||
| C of A | ||||||||||||||||||||||||||||||||||||
| references : | ||||||||||||||||||||||||||||||||||||
| pubchem : | 197229 | |||||||||||||||||||||||||||||||||||
| NIST Chemistry WebBook : | 156263908 | |||||||||||||||||||||||||||||||||||
| reference : | Mosciano, Gerard P&F 23, No. 2, 43, (1998)³ | |||||||||||||||||||||||||||||||||||
| synonyms : | |
| anisyl acetone | |
| para- | anisyl acetone |
| bramble ketone | |
| frambinon methyl ether | |
| 4- | methoxybenzyl acetone |
| para- | methoxybenzyl acetone |
| methoxyohenethyl methyl ketone | |
| para- | methoxyphenyl butanone |
| 4-(4- | methoxyphenyl) butan-2-one |
| 4-(4- | methoxyphenyl)-2-butanone |
| 4-(para- | methoxyphenyl)-2-butanone |
| 1-(4- | methoxyphenyl)-3-butanone |
| 1-(para- | methoxyphenyl)-3-butanone |
| methyl oxanone | |
| raspberry ketone methyl ether | |
| soluble in : | |
| alcohol | |
| dipropylene glycol | |
| water, very slightly | |
| insoluble in : | |
| water | |
| (odor and/or flavor) blends with : | |
| acetaldehyde ethyl phenethyl acetal | |
| 2- | acetyl furan |
| allyl amyl glycolate | |
| allyl cyclohexyl propionate | |
| iso | amyl benzoate |
| iso | amyl butyrate |
| alpha- | amyl cinnamaldehyde |
| iso | amyl phenyl acetate |
| iso | amyl salicylate |
| amyris wood oil | |
| para- | anisaldehyde |
| anise seed oil | |
| para- | anisyl acetate |
| para- | anisyl alcohol |
| beeswax absolute | |
| benzoin resinoid | |
| benzyl acetate | |
| benzyl cinnamate | |
| benzyl isobutyrate | |
| benzyl propionate | |
| bergamot oil | |
| blood orange oil | |
| bois de rose oil | |
| iso | butyl cinnamate |
| caramel furanone | |
| cassia bark oil | |
| chocolate pyrazine | |
| cinnamyl alcohol | |
| citronellol | |
| clary sage oil | |
| clove bud oil | |
| clover nitrile | |
| coriander seed oil | |
| currant bud absolute black | |
| cyclohexyl ethyl alcohol | |
| gamma- | decalactone |
| decanol | |
| 9- | decen-1-ol |
| dimethyl anthranilate | |
| dimethyl benzyl carbinol | |
| dimethyl benzyl carbinyl acetate | |
| dimethyl benzyl carbinyl butyrate | |
| dimethyl benzyl carbinyl isobutyrate | |
| dodecanol | |
| ethyl cinnamate | |
| ethyl heptanoate | |
| ethyl phenyl acetate | |
| ethyl vanillin | |
| iso | eugenyl acetate |
| fir balsam absolute | |
| floral pyranol | |
| geraniol | |
| grapefruit pentanol | |
| green acetate | |
| guaiacwood oil | |
| gurjun balsam oil | |
| hay absolute | |
| heliotropin | |
| heliotropyl acetate | |
| heliotropyl acetone | |
| gamma- | heptalactone |
| gamma- | hexalactone |
| (Z)-3- | hexen-1-yl acetate |
| (Z)-3- | hexen-1-yl butyrate |
| (Z)-3- | hexen-1-yl propionate |
| (Z)-3- | hexen-1-yl salicylate |
| hexyl 2-methyl butyrate | |
| alpha- | hexyl cinnamaldehyde |
| hexyl isovalerate | |
| hyacinth ether | |
| hydroxycitronellal | |
| ionones | |
| labdanum resinoid | |
| leerall | |
| laevo- | linalool |
| linalool oxide | |
| maltol | |
| melon nonenoate | |
| methyl 2-methyl valerate | |
| alpha- | methyl cinnamaldehyde |
| methyl cinnamate | |
| methyl cyclopentenolone | |
| methyl dihydrojasmonate | |
| methyl heptine carbonate | |
| methyl ionones | |
| methyl octine carbonate | |
| mimosa absolute | |
| muguet carboxaldehyde | |
| musks | |
| beta- | naphthyl ethyl ether |
| beta- | naphthyl methyl ether |
| nerol | |
| nerolidol | |
| nonanol | |
| (Z)-6- | nonen-1-al |
| nutmeg oil | |
| ocean propanal | |
| orange oil | |
| orris pyridine | |
| peony alcohol | |
| phenethyl acetate | |
| phenethyl isobutyrate | |
| phenethyl phenyl acetate | |
| phenethyl propionate | |
| phenyl acetic acid | |
| 3- | phenyl propyl alcohol |
| raspberry ketone acetate | |
| raspberry ketone methyl ether | |
| rhodinol | |
| rose butanoate | |
| rose oxides | |
| santall | |
| strawberry furanone | |
| strawberry glycidate 1 | |
| alpha- | terpineol |
| tobacco dodecane | |
| tonka bean absolute | |
| gamma- | undecalactone |
| 10- | undecen-1-al |
| vanilla absolute | |
| vanillyl acetate | |
| verymoss | |
| watermelon ketone | |
| woody acetate | |
| woody amylene | |
| woody propanol | |
| ylang ylang oil | |
| (odor and/or flavor) used in : | |
| angel | |
| apple crabapple | |
| apple red apple | |
| apricot | |
| banana | |
| bergamot | |
| blackberry | |
| blossom tropical blossom | |
| blueberry | |
| blueberry whortleberry red whortleberry | |
| bouquet | |
| boysenberry | |
| briar sweet briar eglantine | |
| butterscotch | |
| cabreuva | |
| candy cotton candy | |
| cassia | |
| cherry | |
| cherry black cherry | |
| cherry blossom | |
| chocolate cacao | |
| christmas blends | |
| chypre | |
| colonia | |
| cookie | |
| crabapple blossom | |
| cranberry | |
| cucumber | |
| currant | |
| daffodil narcissus | |
| fantasy blends | |
| fern fougere | |
| fetes | |
| fig | |
| fir balsam | |
| fir needle | |
| forest | |
| frangipanni plumeria | |
| freesia | |
| fruit dried fruit | |
| gardenia | |
| gooseberry | |
| grape | |
| heliotrope | |
| herbal | |
| hibiscus | |
| honeysuckle chevrefeuille | |
| hyacinth jacinthe | |
| jackfruit | |
| jam | |
| jasmin | |
| kiwi blossom | |
| licorice | |
| lilac lilas syringa | |
| lily | |
| linden blossom limeflower tilleul | |
| loganberry dewberry | |
| lychee soapberry | |
| magnolia | |
| mango | |
| mango blossom | |
| marshmallow | |
| meadow | |
| melon watermelon muskmelon cantaloupe | |
| moss | |
| muguet lily of the valley | |
| mulberry | |
| musk | |
| nectarine | |
| orange blossom fleur d'oranger | |
| pansy | |
| papaya | |
| passion blossom | |
| passion fruit | |
| peach | |
| peach blossom | |
| peony | |
| pineapple | |
| plum | |
| plum blossom | |
| pomegranate | |
| raspberry | |
| raspberry black raspberry | |
| redwood | |
| rose | |
| rose white rose | |
| rose wild rose | |
| starfruit | |
| stock evening scented stock | |
| strawberry | |
| sweet pea pois de senteur | |
| tobacco tabac tabaco | |
| toffee | |
| tropical | |
| tuberose tubereuse | |
| tutti frutti | |
| vanilla | |
| violet | |
| wallflower giroflee | |
| wistaria wisteria glycine | |
| woody | |
| natural occurrence in : | |
| aloe wood | |
| anise seed | |