Caprylic acid methyl ester, tseem hu ua methyl octanoate, yog cov organic compound nrog CAS 111-11-5 thiab tshuaj formula C9H18O2. Colorless rau lub teeb daj pob tshab kua. Cov tshuaj no muaj zog fruity thiab ntsuab aroma, zoo ib yam li sib xyaw aroma ntawm mango thiab strawberry. Tsis tshua muaj insoluble hauv dej, soluble hauv cov kuab tshuaj organic xws li ethanol, ether, thiab roj. Nws ib txwm muaj nyob rau hauv iris curd, strawberries, pineapples, plums, thiab lwm yam tseem ceeb roj. Raws li Suav GB2760-2011 Cov Khoom Noj Ntxiv Siv Khoom Noj, nws raug tso cai siv cov txuj lom noj tau.
(Cov khoom txuas: https://www.bloomtechz.com/synthetic-chemical/additive/caprylic-acid-methyl-ester-cas-111-11-5.html)
Caprylic acid methyl ester yog cov khoom siv nquag siv, uas tuaj yeem ua ke siv ntau txoj hauv kev. Cov hauv qab no yog ob peb txoj hauv kev:
Txoj Kev 1: Acid catalytic method
Acid catalysis yog ib txoj hauv kev zoo rau kev npaj Caprylic acid hlau ester. Cov kauj ruam yog raws li nram no:
Qhov sib npaug ntawm cov tshuaj tiv thaiv yog raws li nram no:
RCOOH+CH3OH → RCOOCH3+H2O
Ntawm lawv, RCOOH sawv cev rau octanoic acid, thiab RCOOCH3 sawv cev rau lub hom phiaj khoom Caprylic acid methyl ester.
Lub ntsiab lus ntawm cov tshuaj tiv thaiv no yog esterification, uas tshwm sim thaum octanoic acid thiab methanol raug esterification cov tshuaj tiv thaiv nyob rau hauv catalysis ntawm sulfuric acid, ua Caprylic acid methyl ester thiab dej. Txoj haujlwm ntawm cov sulfuric acid yog los ua kom nrawm dua cov tshuaj tiv thaiv cov tshuaj tiv thaiv thiab txhawb nqa qhov kev kawm ntawm cov tshuaj tiv thaiv.
1. Npaj reactants
Ua ntej, npaj ob reactants, octanoic acid thiab methanol. Caprylic acid tuaj yeem tau txais los ntawm kev yuav khoom lossis kev sib txuas ntawm tus kheej, thaum methanol tuaj yeem tau los ntawm kev kuaj.
2. Mixed reactants
Sib tov octanoic acid thiab methanol nyob rau hauv ib qho kev faib ua feem thiab ntxiv ib tug tsim nyog tus nqi ntawm sulfuric acid raws li ib tug catalyst. Cov molar piv ntawm octanoic acid rau methanol feem ntau yog 1: 1.1-1.3, thiab tus nqi ntawm sulfuric acid yog 1% -3% ntawm tag nrho cov reactants.
3. Cov tshuaj tiv thaiv cua sov
Muab cov reactants sib xyaw rau hauv lub reactor thiab pib cua sov. Cov tshuaj tiv thaiv kub feem ntau yog nyob nruab nrab ntawm 100-150 degree thiab tuaj yeem hloov kho raws li qhov xwm txheej tshwj xeeb. Thaum lub sij hawm cov txheej txheem tshuaj tiv thaiv, nruam nplawm yog yuav tsum tau los xyuas kom meej tias cov tshuaj tiv thaiv mus tag nrho.
4. Kev sib cais ntawm cov khoom
Tom qab cov tshuaj tiv thaiv tiav, cov khoom raug cais los ntawm distillation. Ua ntej, ua kom sov cov dej sib tov nyob rau hauv lub reactor mus rau boiling point, thiab ces sau cov chav generated thaum boiling. Tom qab txias los ntawm lub condenser, chav ua kua thiab ntxiv cais cov hom phiaj khoom Caprylic acid hlau ester.
Txoj Kev 2: Ester exchange method
Txoj kev sib pauv ester yog ib txoj kev siv feem ntau rau kev sib txuas ntawm Caprylic acid methyl ester. Txoj kev no siv ester pauv cov tshuaj tiv thaiv rau cov tshuaj octanoic acid ester nrog methanol los tsim Caprylic acid methyl ester. Cov tshuaj tiv thaiv no yuav tsum muaj cov catalyst, feem ntau yog siv sodium hydroxide lossis potassium hydroxide ua tus catalyst. Cov tshuaj tiv thaiv kub yog nyob nruab nrab ntawm 50-70 degree , thiab lub sij hawm tshuaj tiv thaiv kuj ntev, feem ntau yuav tsum tau 12-24 teev cov tshuaj tiv thaiv.
Qhov sib npaug ntawm cov tshuaj tiv thaiv yog raws li nram no:
RCOOH+CH3OH ⇌ RCOOCH3+H2O
Ntawm lawv, RCOOH sawv cev rau octanoic acid, thiab RCOOCH3 sawv cev rau lub hom phiaj khoom Caprylic acid methyl ester.
Thaum lub sij hawm cov tshuaj tiv thaiv, octanoic acid thiab methanol undergo ester pauv cov tshuaj tiv thaiv, tsim Caprylic acid hlau ester thiab dej. Lub luag haujlwm ntawm cov catalyst yog txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm rau txhawm
Cov kauj ruam tshwj xeeb yog raws li nram no:
1. Npaj reactants:
Ua ntej, ob reactants, octanoic acid thiab methanol, yuav tsum tau npaj. Caprylic acid tuaj yeem tau txais los ntawm kev yuav khoom lossis kev sib txuas ntawm tus kheej, thaum methanol tuaj yeem tau los ntawm kev kuaj.
2. Kev npaj cov tshuaj tiv thaiv sib tov:
Sib tov octanoic acid thiab methanol hauv ib qho kev faib ua feem los npaj cov tshuaj tiv thaiv sib tov. Feem ntau, cov molar piv ntawm octanoic acid rau methanol yog 1: 1.1-1.3.
3. Ntxiv catalyst:
Ntxiv qhov tsim nyog tus nqi ntawm ester pauv catalyst rau cov tshuaj tiv thaiv sib tov, feem ntau siv catalysts xws li sulfates, alkaline hlau alkoxides, thiab lwm yam. Catalysts tuaj yeem txhawb kev nce qib ntawm ester txauv cov tshuaj tiv thaiv.
4. Cov txheej txheem tshuaj tiv thaiv:
Muab cov tshuaj tiv thaiv sib tov rau hauv lub reactor thiab ua kom sov. Cov tshuaj tiv thaiv kub feem ntau yog nyob nruab nrab ntawm 120-180 degree thiab tuaj yeem hloov kho raws li qhov xwm txheej tshwj xeeb. Thaum lub sij hawm cov txheej txheem tshuaj tiv thaiv, txaus stirring yog yuav tsum tau los txhawb txoj kev loj hlob ntawm cov tshuaj tiv thaiv.
5. Lub sij hawm teb:
Lub sij hawm tshuaj tiv thaiv yuav txawv nyob ntawm seb cov kev mob tshwm sim thiab cov kev xav tau ntawm cov khoom lag luam. Feem ntau, cov tshuaj tiv thaiv lub sij hawm nyob ntawm ob peb teev mus rau ob peb teev.
6. Cov khoom sib cais:
Tom qab cov tshuaj tiv thaiv tiav, nws yog ib qho tsim nyog los cais cov tshuaj tiv thaiv sib tov kom tau cov khoom lag luam Caprylic acid hlau ester. Distillation feem ntau yog siv rau kev sib cais. Ua ntej, ua kom sov cov tshuaj tiv thaiv sib tov rau lub boiling point, ces txias lub chav rau hauv lub xeev ua kua los ntawm ib tug condenser, sau thiab purify cov khoom.
Txoj Kev 3: Acyl chloride method
1. Kev npaj ntawm acyl chloride
Cov kauj ruam:
(1) Sib tov octanoic acid nrog rau qhov tsim nyog ntawm sulfoxide chloride, thiab ntxiv qhov tsim nyog ntawm catalyst xws li pyridine lossis triethylamine.
(2) Sib tov qhov sib tov ntawm qhov kub thiab txias (feem ntau nyob ib ncig ntawm 0 degree C) thaum ua kom cov tshuaj tiv thaiv kub tas li.
(3) Tom qab ib lub sijhawm (feem ntau yog ob peb teev), cov txheej txheem tshuaj tiv thaiv tuaj yeem soj ntsuam los ntawm txheej nyias nyias chromatography (TLC).
(4) Tom qab cov tshuaj tiv thaiv tiav lawm, cov seem sulfoxide chloride thiab lwm yam tsis huv tuaj yeem raug tshem tawm los ntawm distillation thiab lwm txoj kev.
(5) Cov khoom nyoos uas tau txais tuaj yeem ua kom huv los ntawm kab chromatography thiab lwm txoj hauv kev kom tau txais cov ntshiab octyl chloride.
Chemical Equation:
RCOOH+SOCl2 → RCOCl+SO2+HCl
Ntawm lawv, R sawv cev rau pawg octanoic acid.
2. Cov tshuaj tiv thaiv esterification
Cov kauj ruam:
(1) Sib tov cov ntshiab octyl chloride nrog rau qhov tsim nyog ntawm methanol, thiab ntxiv cov kua qaub uas tsim nyog xws li sulfuric acid lossis phosphoric acid.
(2) Sib tov qhov sib tov ntawm qhov kub thiab txias (feem ntau nyob ib ncig ntawm 0 degree C) thaum ua kom cov tshuaj tiv thaiv kub tas li.
(3) Tom qab ib lub sijhawm (feem ntau yog ob peb teev), cov txheej txheem tshuaj tiv thaiv tuaj yeem raug saib xyuas los ntawm TLC.
(4) Tom qab cov tshuaj tiv thaiv tiav lawm, cov tshuaj methanol thiab lwm yam tsis huv tuaj yeem raug tshem tawm los ntawm distillation thiab lwm txoj kev.
(5) Cov khoom nyoos tau txais tuaj yeem ua kom huv los ntawm kem chromatography thiab lwm txoj hauv kev kom tau txais cov ntshiab Caprylic acid hlau ester.
Chemical Equation:
RCOCl+CH3OH → RCOOCH3+HCl
Los ntawm ob kauj ruam ntawm cov tshuaj tiv thaiv saum toj no, Caprylic acid hlau ester tuaj yeem tau txais. Thaum lub sij hawm tag nrho cov txheej txheem synthesis, yuav tsum tau them nyiaj mloog mus rau kev tswj cov tshuaj tiv thaiv kub thiab lub sij hawm, raws li zoo raws li kev siv cov qhuav reagents thiab cov kuab tshuaj los xyuas kom meej lub purity thiab tawm los ntawm cov khoom. Tsis tas li ntawd, vim yog siv cov corrosive sulfoxide chloride thiab methanol hauv cov tshuaj tiv thaiv, nws yog ib qho tsim nyog yuav tsum tau ua haujlwm ntawm qhov kub thiab txias thiab siv cov khoom siv tiv thaiv corrosion.
Cov txheej txheem saum toj no tuaj yeem siv tag nrho rau kev sib xyaw ntawm Caprylic acid methyl ester, tab sis txhua tus muaj nws qhov zoo thiab qhov tsis zoo. Cov kua qaub catalytic txoj kev yog yooj yim thiab ua tau, tab sis yuav tsum tau kub siab thiab ntev cov tshuaj tiv thaiv lub sij hawm; Txoj kev sib pauv ester muaj lub sijhawm ntev ntev tab sis kev ua haujlwm yooj yim; Txoj cai acyl chloride yuav tsum tau siv cov tshuaj sulfoxide chloride uas muaj tshuaj lom heev, uas cuam tshuam rau cov tshuaj tiv thaiv kab mob phem heev hauv cov tshuaj tiv thaiv. Yog li ntawd, nyob rau hauv kev siv tswv yim, nws yog ib qhov tsim nyog los xaiv txoj kev tsim nyog cov tshuaj tiv thaiv raws li qhov xwm txheej tshwj xeeb.