Khoom Taw qhia
| Raspberry Ketone Cov ntaub ntawv yooj yim |
| Cov khoom siv tshuaj siv txoj kev tsim khoom |
| Khoom npe: | Raspberry Ketone |
| Synonyms: | 4-(4-Hydroxyphenyl)-2-butanone 5471-51-2; Ntuj Raspberry Ketone; Dobutamine EP Impurity B; Dobutamine Hydrochloride Impurit Ⅰ:4-(4- Hydroxyphenyl)-2-butanone;4-p-Hydroxylphenyl)-2-butone; Raspberry keton; Raspberry KETONE; RaSBERRY KETONE |
| CAS: | 5471-51-2 |
| MF: | C10H12O2 |
| MW: | 164.2 |
| EINECS: | 226-806-4 |
| Khoom Categories: | Aromatic Ketones (hloov tau); Khoom noj khoom haus thiab pub additives; Aromatics; Tshuaj ntsuab extract;5471-51-2 |
| Mol File: | 5471-51-2.mol |
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| Raspberry Ketone Chemical Properties |
| Melting point | 81-85 degree (lit.) |
| Boiling point | 200 degree |
| ceev | 1.0326 (kev kwv yees kwv yees) |
| vapor siab | 40Pa ntawm 25 degree |
| Refractive Index | 1.5250 (kwv yees) |
| FEMA | 2588|4-(P-HYDROXYPHENYL)-2-BUTANONE |
| cia temp. | nyob rau hauv inert gas (argon) |
| solubility | 95% ethanol: soluble 50mg / mL, ntshiab rau me ntsis hazy, tsis muaj xim rau faint daj los yog tan |
| daim ntawv | Ua kua |
| pka ua | 9.99 ± 0.15 (Tshaj tawm) |
| xim | Ntshiab xim tsis muaj xim |
| tsw | ntawm 10.00 % hauv dipropylene glycol. Sweet Berry jam raspberry ripe floral |
| Hom tshuaj tsw qab | txiv hmab txiv ntoo |
| Dej Solubility | Insoluble hauv dej. |
| JECFA Number | 728 |
| BRN | 776080 |
| InChIKey | NJGBTKGETPDVIK-UHFFFAOYSA-N |
| LogP | 0 935-1.33 ntawm 20 degree |
| CAS DataBase Reference | 5471-51-2(CAS DataBase Reference) |
| NIST Chemistry Reference | 2-Butanone, 4-(4-hydroxyphenyl)-(5471-51-2) |
| EPA Tshuaj Registry System | 2-Butanone, 4-(4-hydroxyphenyl)- (5471-51-2) |
| Cov ntaub ntawv kev nyab xeeb |
| Hazard Codes | Xn, xis |
| Risk Statements | 22 |
| Cov lus hais txog kev nyab xeeb | 26-36/37/39-36 |
| WGK Germany | 2 |
| RTECS | ib 8925000 |
| Ceeb toom | Irritant |
| TSCA | Yog lawm |
| HS Code | 29145011 |
| Cov Ntaub Ntawv Muaj Xwm Ceev | 5471-51-2(Cov ntaub ntawv muaj phom sij) |
| MSDS Cov Ntaub Ntawv |
| Tus kws kho mob | Lus |
|---|---|
| Frambinone | Lus Askiv |
| SigmaAldrich | Lus Askiv |
| ACROS | Lus Askiv |
| ALFA | Lus Askiv |
| Raspberry Ketone Siv Thiab Synthesis |
| Cov khoom siv tshuaj | Nws zoo nkaus li dawb koob siv lead ua los yog granular khoom, nthuav tawm raspberry aroma thiab txiv hmab txiv ntoo aroma. Lub melting point kub yog 82 ~ 83 degree. Nws yog insoluble nyob rau hauv dej thiab roj, soluble nyob rau hauv cawv, ether thiab volatile roj. Cov khoom ntuj muaj nyob rau hauv raspberry (raspberry) thiab hais txog. |
| Siv | 1. Raspberry Ketone yog siv rau hauv kev npaj cov txuj lom zaub mov nrog qab zib, tuaj yeem siv rau cov tshuaj pleev ib ce thiab xab npum tsw. 2. Raspberry Ketone yog dav siv nyob rau hauv strawberry, raspberry, pineapple, txiv duaj thiab lwm yam zaub mov flavors, feem ntau yog siv los kho tus neeg sawv cev ntawm fruity tsw. Nyob rau hauv txhua hnub tsw, nws yuav siv tau nyob rau hauv formulations xws li jasmine, gardenia paj thiab tuberose. Raws li kev hloov kho, nws tuaj yeem siv rau hauv jasmine, gardenia, tuberose thiab lwm yam tsw qab txhua hnub. Hauv cov khoom noj qab zib, nws feem ntau yog siv rau strawberries, pineapple, txiv duaj, plums, mayberry thiab lwm yam tshuaj tsw qab. Hauv cov tshuaj, nws feem ntau yog siv los ua intermediates. |
| Txoj kev tsim khoom | 3.5mol 15% sodium hydroxide yog thawj zaug ntxiv rau lub reactor, thiab 2 mol ntawm acetone thiab 1mol ntawm p-hydroxybenzaldehyde yog ntxiv dropwise nyob rau hauv stirring. Qhov ntsuas kub yog tswj ntawm 20 txog 30 ° C, thiab cov tshuaj tiv thaiv stirring txuas ntxiv rau 20 teev. Cov khoom sodium ntsev ntawm 4-p-hydroxyphenylbutene-3-ketone-2 tau txais tom qab lim, ntxiv yaj hauv dej, thiab tom qab ntawd acidified nrog hydrochloric acid kom precipitate 4-p-hydroxyphenylbutene -3-ketone{16}}, lim ntxiv thiab qhuav rau daim ntawv thov ntxiv. Lub autoclave tau muab nrog 100 g ntawm nruab nrab thiab 5 g ntawm cov nickel catalyst, thiab cov cua tau hloov nrog hydrogen. Cov sib tov tau rhuab mus rau 120-140 degree thiab reacted ntawm lub siab ntawm 0.98 MPa rau 1.5 h. Tom qab txias, cov catalyst tau lim tawm, cov ntsiab lus ntawm raspberry ketone yog 89% thiab hydrogenation yield yog 92%. Cov khoom lag luam crude saum toj no yog raug rau lub tshuab nqus tsev distillation ib zaug nrog ntxiv recrystallization ntawm 1-2 zaug tau txais dawb crystals nrog lub melting point ntawm 82 degree C. Phenol txoj kev 94g phenol thiab 85% phosphoric acid sib xyaw catalyst tau ntxiv rau hauv lub reactor, 70g methyl vinyl ketone tau ntxiv dropwise hauv 40min, qhov kub thiab txias tau khaws cia ntawm 15-20 degree, thiab cov tshuaj tiv thaiv tau nplawm rau 4h. Tom qab ua tiav cov tshuaj tiv thaiv, cov tshuaj tiv thaiv sib tov tau ntxuav nrog dej kom txog thaum nruab nrab, thiab 63 g ntawm phenol raug distilled nyob rau hauv lub siab txo kom tau 25 g ntawm cov khoom uas muaj ib tug melting point ntawm 81.5 mus rau 82.5 degree C thiab ib tug yield ntawm 80%. . Nws tau txais los ntawm kev sib xyaw ntawm hydroxybenzaldehyde thiab acetone thiab ntxiv hydrogenation. Nws yog tau los ntawm condensation ntawm ketone acid thiab phenol. |
| Kev piav qhia | 4-(p-Hydroxyphenyl)-2-butanone muaj qab zib, fruity, raspberry preserves tsw. Tej zaum yuav tau npaj los ntawm catalytic hydrogenation ntawm phydroxy-benzylidene acetone nyob rau hauv lub xub ntiag ntawm platinum dub nyob rau hauv ether los yog methanol los yog nyob rau hauv lub xub ntiag ntawm palladium absorbed ntawm charcoal. |
| Chemical Properties | 4-(p-Hydroxyphenyl)-2-butanone muaj qab zib, fruity, raspberry preserves-hom tsw. |
| Chemical Properties | 4-(4-Hydroxyphenyl)-2-butanone yog ib yam khoom muaj txiaj ntsig zoo ntawm raspberry aroma. Nws tsim cov xim tsis muaj kob (mp 82-83 degree) nrog lub qab zib, fruity tsw xav nco txog ntawm raspberries. Raspberry ketone yog npaj los ntawm alkali-catalyzed condensation ntawm alkali ntsev ntawm 4-hydroxybenzaldehyde thiab acetone, ua raws li los ntawm xaiv hydrogenation ntawm ob daim ntawv cog lus nyob rau hauv lub resulting 4-hydroxybenzalacetone. Lwm cov syntheses pib los ntawm phenol, uas yog hloov mus rau hauv 4-(4-hydroxyphenyl)-2-butanone nrog methyl vinyl ketone los yog nrog 4-hydroxy-2-butanone. |
| Chemical Properties | dawb mus rau me ntsis daj hmoov los yog koob |
| Qhov tshwm sim | Tshaj tawm pom European cranberry, raspberry, blackberry, loganberry thiab hiav txwv buckthorn (Hippophae rham noides L.). |
| Siv | 4-(4-Hydroxyphenyl)-2-butanone yog siv nyob rau hauv perfumery, tshuaj pleev ib ce, thiab ua zaub mov additive rau impart ib tug fruity tsw. |
| Siv | Lub ntsiab aroma compound ntawm liab raspberries, siv nyob rau hauv naj hoom compositions, tshuaj zawv plaub hau, tshuaj pleev ib ce thiab raws li ib tug khoom noj khoom haus additives. Tsis tas li ntawd ib qho impurity hauv synthesis ntawm Dobutamine (D494445). |
| Siv | Intermediates ntawm Liquid Crystals |
| Txhais | ChEBI: Ib ketone uas yog 4-phenylbutan-2- ib qho uas lub nplhaib phenyl raug hloov ntawm txoj hauj lwm 4 los ntawm pawg hydroxy. Nws muaj nyob rau hauv ntau yam txiv hmab txiv ntoo xws li raspberries, blackberries thiab cranberries, thiab yog siv nyob rau hauv perfumery thiab tshuaj pleev ib ce. |
| Saj pib qhov tseem ceeb | Cov yam ntxwv saj ntawm 40 ppm: fruity, jamy, Berry, raspberry, thiab blueberry nrog seedy, paj rwb khoom qab zib nuances |
| Synthesis Reference (cov) | Phau ntawv Journal of Organic Chemistry, 41, p. Xyoo 1206, 1976DOI:10.1021/j00869a026 Synthetic Communications, 19, p. Xyoo 1109, 1989DOI: 10.1080/00397918908051034 |
| Flammability thiab Explosibility | Tsis yog nplaim taws |
| Kev ruaj ntseg Profile | Tshuaj lom los ntawm txoj kev intraperitoneal. Muaj tshuaj lom los ntawm kev noj tshuaj. Flammable kua. Thaum rhuab mus rau decomposition nws emissions pa luam yeeb thiab irritating fumes. Saib KETONES thiab. |
| Raspberry Ketone Kev Npaj Cov Khoom Siv thiab Cov Khoom Raw |
| Cov khoom nyoos | Ethanol-->Acetone-->4-Hydroxybenzaldehyde-->Methyl vinyl ketone-->4-Phenyl-1-butene-->4,4'-Carbonyldiphthalic acid |
| Cov khoom npaj | methyl [4-(3-oxobutyl)phenoxy]acetate-->2-Butanone, 4-[4-(2-oxiranylmethoxy)phenyl]--->(4(3-HYDROXY-3-METHYL-BUTYL)-PHENOXY)-ACETIC ACID |
Cim npe nrov: Tuam Tshoj raspberry ketone manufacturers, lwm tus neeg, Hoobkas
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