| 3-Pentanone Cov ntaub ntawv yooj yim |
| tsw |
| Khoom npe: |
3-Pentanone |
| Synonyms: |
3-Pentanon; DEK; Diathylketon; Diethylcetone; diethylcetone (Fabkis); Diethylketon; Ethyl propionyl; Diethyl Ketone Propione |
| CAS: |
96-22-0 |
| MF: |
C5H10O |
| MW: |
86.13 |
| EINECS: |
202-490-3 |
| Khoom Categories: |
Muaj / Zoo Tshuaj; Organics; ketone; Amber iav fwj; Reagent; Lub raj mis hnyav; Kev xaiv ntim ntim; Cov kuab tshuaj; bc0001 |
| Mol File: |
96-22-0.mol |
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| |
| 3-Pentanone Chemical Properties |
| Melting point |
-42 degree (lit.) |
| Boiling point |
101.5 degree (lit.) |
| ceev |
0.813 g/mL ntawm 25 degree (lit.) |
| vapor ceev |
3 (vs huab cua) |
| vapor siab |
20 hli Hg (28 degree) |
| Refractive Index |
n20 / D 1.392 (lit.) |
| Fp |
55 degree F |
| cia temp. |
Khaws hauv qab +30 degree . |
| solubility |
dej: me ntsis soluble |
| daim ntawv |
Ua kua |
| xim |
Ntshiab xim tsis muaj xim |
| tsw |
ntawm 0.10% hauv propylene glycol. ethereal acetone |
| kwv tij polarity |
0.265 |
| PH |
6.2 (50g / l, H2O, 20 degree) |
| tawg txwv |
1.6-7.7%(V) |
| Hom tshuaj tsw qab |
ethereal |
| Dej Solubility |
50 g/L (20 ºC) |
| Merck |
14,3121 |
| BRN |
635749 |
| Kev txwv tsis pub dhau |
TLV-TWA 705 mg/m3(200 ppm) (ACGIH). |
| Dielectric tsis tu ncua |
17.3 (14 ° C) |
| Kev ruaj ntseg: |
ruaj khov. Cov nplaim taws heev. Yooj yim tsim cov khoom tawg nrog cua. Incompatible nrog cov hauv paus muaj zog, txo cov neeg ua haujlwm, muaj zog oxidizing cov neeg ua haujlwm. |
| InChIKey |
FDPIMTJIUBPUKL-UHFFFAOYSA-N |
| LogP |
0.85 ntawm 25 degree |
| CAS DataBase Reference |
96-22-0(CAS DataBase Reference) |
| NIST Chemistry Reference |
3-Pentanone(96-22-0) |
| EPA Tshuaj Registry System |
3-Pentanone (96-22-0) |
| |
| Cov ntaub ntawv kev nyab xeeb |
| Hazard Codes |
F, Xis |
| Risk Statements |
11-37-66-67 |
| Cov lus hais txog kev nyab xeeb |
9-16-25-33 |
| RIDADR |
UN 1156 3/PG 2 |
| OEB |
A |
| OEL |
TWA: 200 ppm (705 mg/m3) |
| WGK Germany |
1 |
| RTECS |
SA8050000 |
| Autoignition Kub |
845 degree F |
| TSCA |
Yog lawm |
| HS Code |
2914 19 90 |
| HazardClass |
3 |
| PackingGroup |
II |
| Cov Ntaub Ntawv Muaj Xwm Ceev |
96-22-0(Cov ntaub ntawv muaj phom sij) |
| Toxicity |
LD50 qhov ncauj hauv nas: 2.1 g / kg, Smyth et al., Arch. Ind. Hyg. Nyob. Med.10, 61 (1954) |
| Tus kws kho mob |
Lus |
| SigmaAldrich |
Lus Askiv |
| ACROS |
Lus Askiv |
| ALFA |
Lus Askiv |
| |
| 3-Pentanone Siv Thiab Synthesis |
| tsw |
Txaus siab, ethereal-sov, diffusive tsw, me dua li ntawm Acetone, tab sis zoo sib xws hauv tus cwj pwm. |
| Kev piav qhia |
Diethyl ketone yog cov kua xim tsis muaj xim nrog cov ntxhiab tsw zoo li anacetone (tsim zoo li tus ntsia thawv polish tshem tawm). Qhov siab tshaj plaws 2.8 ppm. Molecular hnyav=86.15; Specificgravity (H2O:1) =0,81 ntawm 25 degree; Boiling point =101.6 degree ;Kwv yees / Melting point =242 degree ; Vapor siab 535 mmHg ntawm 25 degree; Flash point =12.8 degree (oc); Autoignitiontemperature =452 degree . Cov txwv tawg: LEL=1.6%;UEL=6.4%. Kev txheeb xyuas qhov phom sij (raws li NFPA-704 MRating System): Kev Noj Qab Haus Huv 1, Flammability 3, Reactivity 0.Moderately soluble hauv dej. |
| Chemical Properties |
3-Pentanone (tseem hu ua diethyl ketone) yog ib tug tswv cuab ntawm chav kawm ntawm cov tebchaw hu ua ketones. Nws yog xim tsis muaj xim ketone nrog cov ntxhiab tsw zoo li acetone. Nws yog soluble hauv li 25 feem dej, tab sis miscible nrog cov kuab tshuaj organic. 3-pentanone yog ib qho acetone thiab ethereal tasting compound thiab tuaj yeem pom nyob rau hauv ntau yam khoom noj xws li strawberry guava, ceylon cinnamon, beech txiv ntoo, thiab pak choy, uas ua rau 3-pentanone muaj peev xwm biomarker rau kev noj cov khoom noj no. |
| Siv |
Diethyl ketone yog siv los ua cov kuab tshuaj, tshuaj, thiab hauv cov organic synthesis. |
| Siv |
3-Pentanone feem ntau yog siv los ua cov kuab tshuaj hauv cov xim thiab ua ntej rau vitamin E. Nws yog siv los ua cov tshuaj reagent los ua ke ethyl 2-cyano-3, 3-diethylacrylate los ntawm Knoevenagel condensation. Nws kuj qhia tau hais tias cov nyhuv anticonvulsant hauv ntau hom nas qaug dab peg. Nws ua haujlwm raws li qhov nruab nrab hauv kev tsim cov tshuaj. |
| Siv |
3-Pentanone yuav raug siv los ntsuas cov molar ntau dhau ntawm nws cov binary sib tov nrog 1-chloroalkanes ntawm 298.15K thiab atmospheric siab. |
| Txhais |
ChEBI: Pentan-3-ib qho yog pentanone uas yog pentane nqa ib pawg oxo ntawm txoj haujlwm 3. Nws tau raug cais tawm ntawm Triatoma brasiliensis thiab Triatoma infestans. Nws muaj lub luag haujlwm ua tsiaj metabolite. |
| Kev piav qhia dav dav |
Cov kua ntshiab tsis muaj xim nrog cov ntxhiab tsw zoo li acetone. Flash point 55 degree F. Tsawg ntom dua dej. Vapors hnyav dua li huab cua. |
| Cua & Dej Reactions |
Cov nplaim taws heev. Me ntsis soluble hauv dej |
| Reactivity Profile |
3-Pentanone yog incompatible nrog rau cov hauv qab no: Muaj zog oxidizers, alkalis, mineral acids, (hydrogen peroxide + nitric acid). |
| Health Hazard |
Cov kua ua rau qhov muag hlawv. Vapor irritates qhov muag, qhov ntswg thiab caj pas; tuaj yeem ua rau mob taub hau, kiv taub hau, xeev siab, tsis muaj zog, thiab tsis nco qab. |
| Health Hazard |
Diethyl ketone yog ib qho tshuaj narcotic me me thiab ua rau khaus. Nws qhov mob toxicity tsawg dua li ntawm methyl propyl ketone. Exposureto 80,000 ppm rau 4 teev ua rau nas tuag.
LD50 tus nqi, qhov ncauj (rats): 2140 mg / kg. |
| Hluav Taws Xob |
HIGHLY FLAMMABLE: Yuav tau yooj yim ignited los ntawm tshav kub, sparks los yog nplaim taws. Cov vapors tuaj yeem tsim cov khoom tawg nrog cua. Vapors tuaj yeem mus rau qhov chaw ntawm qhov hluav taws kub thiab rov qab flash. Feem ntau cov vapors hnyav dua li huab cua. Lawv yuav kis tau mus rau hauv av thiab sau rau hauv qhov chaw qis lossis qhov chaw kaw (sewers, hauv qab daus, tanks). Vapor explosion txaus ntshai nyob hauv tsev, sab nraum zoov lossis hauv cov kav dej. Cov dej ntws mus rau hauv cov kav dej yuav ua rau muaj hluav taws kub lossis tawg. Cov thawv ntim khoom tuaj yeem tawg thaum cua sov. Cov kua dej ntau yog sib dua li dej. |
| Flammability thiab Explosibility |
Cov nplaim taws heev |
| Kev ruaj ntseg Profile |
Muaj tshuaj lom los ntawm txoj kev. Ib daim tawv nqaij thiab qhov muag irritant. Cov ntaub ntawv hloov pauv tau tshaj tawm. Kev phom sij txaus ntshai thaum raug tshav kub lossis nplaim taws; tuaj yeem cuam tshuam nrog cov khoom siv oxidizing. Txhawm rau tua hluav taws, siv cawv ua npuas ncauj, ua npuas ncauj, CO2, tshuaj qhuav. Reacts nrog hydrogen peroxide + nitric acid los ua ib qho shock thiab kub rhiab heev peroxide. Thaum rhuab mus rau decomposition nws emissions pa luam yeeb thiab irritating fumes. Saib KETONES thiab. |
| Synthesis |
3-Pentanone ob txoj kev sib txuas: 1) los ntawm Propyl cawv. 2) Propionic acid. |
| Synthesis |
Ketonic decarboxylation txoj kev
3-Pentanone yog tsim los ntawm ketonic decarboxylation ntawm propanoic acid siv hlau oxide catalysts:
2 CH3CH2CO2H → (CH3CH2)2CO + CO2 + H2O
nyob rau hauv lub chaw soj nstuam, cov tshuaj tiv thaiv yuav ua tau nyob rau hauv ib lub raj rauv taws.
Other way to make 3-pentanone: Acetone + very strong base and then + methylating agent -> butanone. Butanone + very strong base, then + methylating agent ->sib tov ntawm 3-methylbutanone thiab 3-pentanone.
Synthesis ntawm 3-pentanone los ntawm 1-propanol tshaj CeO2–Fe2O3 catalysts
Vogel's Textbook of Practical Organic Chemistry |
| Ntxim yuav nphav raug |
Tshuaj, Mutagen, Primary Irritant. Cov tshuaj no yog siv los ua cov kuab tshuaj; nyob rau hauv cov organic synthesis thiab ua tshuaj. |
| Kev pab thawj zaug |
Yog hais tias cov tshuaj no nkag mus rau hauv lub qhov muag, tshem tawm ib qho kev sib cuag lo ntsiab muag ib zaug thiab irrigate tam sim ntawd rau tsawg kawg yog 15 feeb, qee zaus nqa lub hau sab sauv thiab qis dua. Nrhiav kev kho mob tam sim ntawd. Yog tias cov tshuaj no kis rau ntawm daim tawv nqaij, tshem tawm cov khaub ncaws tsis huv thiab ntxuav tam sim nrog xab npum thiab dej. Nrhiav kev kho mob tam sim ntawd. Yog tias cov tshuaj no tau nqus tau lawm, tshem tawm ntawm qhov raug, pib ua pa cawm siav (siv kev ceev faj thoob ntiaj teb, suav nrog daim npog qhov ncauj resuscitation) yog ua tsis taus pa thiab CPR yog tias lub plawv nres. Hloov tam sim ntawd mus rau qhov chaw kho mob. Thaum cov tshuaj no tau nqos lawm, mus ntsib kws kho mob. Muab dej ntau thiab ua kom ntuav. Tsis txhob ua rau tus neeg tsis nco qab ntuav. |
| khaws cia |
Xim Code-Liab: Flammability Hazard: Khaws cia rau hauv qhov chaw cia cov kua hluav taws xob los yog lub txee tso cai kom deb ntawm qhov hluav taws kub thiab cov khoom siv corrosive thiab reactive.Ua ntej ua hauj lwm nrog DEK koj yuav tsum tau kawm txog nws txoj kev tuav thiab khaws cia. Ua ntej nkag mus rau qhov chaw kaw qhov chaw uas cov tshuaj no tuaj yeem tshwm sim, xyuas kom paub tseeb tias tsis muaj cov khoom tawg. Diethylketone yuav tsum tau khaws cia kom tsis txhob muaj kev sib cuag nrog cov ntaub ntawv oxidizing (xws li peroxides, perchlorates, chlorates, permanganates, thiab nitrates) txij li thaum muaj kev kub ntxhov tshwm sim. Khaws cov thawv kaw nruj nreem rau hauv qhov chaw txias, qhov cua zoo kom deb ntawm qhov chaw cua sov. Qhov chaw ntawm qhov hluav taws kub, xws li haus luam yeeb thiab qhib nplaim taws, yog txwv tsis pub nyob qhov twg diethylketone yog siv, tuav, los yog khaws cia nyob rau hauv ib tug yam ntxwv uas yuav ua rau muaj hluav taws kub los yog tawg txaus ntshai. Cov thawv ntim hlau uas cuam tshuam txog kev hloov pauv ntawm =gallons lossis ntau dua ntawm diethyl ketone yuav tsum yog hauv av thiab sib txuas. Drums yuav tsum tau nruab nrog tus kheej-kaw li qub, lub tshuab nqus tsev bungs, thiab flamearresters. Siv cov cuab yeej thiab cov cuab yeej tsis ua pa, tshwj xeeb tshaj yog thaum qhib thiab kaw cov ntim ntawm diethylketone. Txhua qhov chaw ntawm diethyl ketone siv, tuav, tsim, lossis khaws cia, siv cov khoom siv hluav taws xob tawg thiab cov khoom siv. |
| Kev xa khoom |
Qhov kev sib xyaw no xav tau daim ntawv xa khoom ntawm "FLAMMABLE LIQUID." Nws ntog hauv Hazard Class 3 thiab Packing Group II. |
| Txoj Kev Purification |
Qhuav nws nrog anhydrous CaSO4 los yog CuSO4, thiab distil los ntawm P2O5 nyob rau hauv N2 los yog nyob rau hauv lub siab txo. Kev lim dej ntxiv yog los ntawm kev hloov pauv mus rau semicarbazone (recrystallise mus tas li m 139o, los ntawm EtOH) uas, tom qab ziab hauv vacuo tshaj CaCl2 thiab paraffin wax, yog refluxed rau 30 feeb nrog ntau tshaj oxalic acid, ces chav distilled thiab salted tawm nrog K2CO3. Qhuav nrog Na2SO4 thiab distil [Cowan et al. J Chem Soc 171 1940]. [Beilstein 1 IV 3279.] |
| Kev tsis sib haum xeeb |
Cov tshuaj tiv thaiv hnyav nrog oxidizers, ua rau hluav taws kub thiab tawg txaus ntshai. Forms explosive mix withair. Tsis sib haum nrog cov kua qaub uas muaj zog, aliphatic amines.Attacks ntau cov yas, roj hmab, thiab cov coatings. Tej zaum yuav khaws cov nqi hluav taws xob zoo li qub, thiab tuaj yeem ua rau nws cov vapors ignition. |
| Pov tseg pov tseg |
Incineation; molten ntsev kho. |
| |
| 3-Pentanone Preparation Products Thiab Raw Materials |
| Cov khoom nyoos |
Sodium dichromate dihydrate-->3-Pentanol |
| Cov khoom npaj |
2-(3-BROMO-PROPYL)-1H-BENZOIMIDAZOLE-->3-Ethyl-3-pentanol-->5-Ethyl-6-methylthieno[2,3-d]pyrimidin-4(3H)-one ,97%-->2-AMINO-4-ETHYL-5-METHYL-THIOPHENE-3-CARBOXYLIC ACID ETHYL ESTER-->2-AMINO-4-ETHYL-5-METHYL-THIOPHENE-3-CARBOXYLIC ACID METHYL ESTER-->2-Chloropentan-3-one-->DIPHENYLKETENE-->2,3,6-Trimethylphenol-->2,4-Dimethyl-2,4-heptadienal-->3-AMINOPENTANE-3-CARBOXYLIC ACID-->BICYCLO[2.2.2]OCTANE-->1-METHYLBUTYL ACETATE-->3-ETHYL-2-PENTENE-->2-6-DIMETHYL-4-NITROANILINE-->2,6-DIMETHYL-4-NITROPHENOL-->3,5-DIMETHYL-4-HEPTANONE-->1-Dimethylamino-2-methylpentan-3-ib |
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