Organooxygen compounds
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Diethyl oxalacetate sodium salt, 95%
CAS: 40876-98-0 Molecular Formula: C8H11NaO5 Molecular Weight (g/mol): 210.161 MDL Number: MFCD00035571 InChI Key: UJZUICGIJODKOS-UHFFFAOYSA-M Synonym: diethyl oxalacetate sodium salt,sodium z-1,4-diethoxy-1,4-dioxo-but-2-en-2-olate,ethyl sodium oxaloacetate,sodium-1,4-diethoxy-1,4-dioxobut-2-en-2-olate,ksc915o5n PubChem CID: 44134875 IUPAC Name: sodium;1,4-diethoxy-1,4-dioxobut-2-en-2-olate SMILES: CCOC(=O)C=C(C(=O)OCC)[O-].[Na+]
| PubChem CID | 44134875 |
|---|---|
| CAS | 40876-98-0 |
| Molecular Weight (g/mol) | 210.161 |
| MDL Number | MFCD00035571 |
| SMILES | CCOC(=O)C=C(C(=O)OCC)[O-].[Na+] |
| Synonym | diethyl oxalacetate sodium salt,sodium z-1,4-diethoxy-1,4-dioxo-but-2-en-2-olate,ethyl sodium oxaloacetate,sodium-1,4-diethoxy-1,4-dioxobut-2-en-2-olate,ksc915o5n |
| IUPAC Name | sodium;1,4-diethoxy-1,4-dioxobut-2-en-2-olate |
| InChI Key | UJZUICGIJODKOS-UHFFFAOYSA-M |
| Molecular Formula | C8H11NaO5 |
2'-Acetoxyacetophenone, 98%
CAS: 7250-94-4 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.19 MDL Number: MFCD00017223 InChI Key: WWEDAIJJBDFOOK-UHFFFAOYSA-N Synonym: 2'-acetoxyacetophenone,2-acetylphenyl acetate,ethanone, 1-2-acetyloxy phenyl,o-acetoxyacetophenone,2'-acetoxy acetophenone,maybridge1_002653,acmc-209on8,acetic acid 2-acetyl-phenyl ester,acetophenone, 2-hydroxy-, acetate 8ci PubChem CID: 16716 IUPAC Name: (2-acetylphenyl) acetate SMILES: CC(=O)OC1=CC=CC=C1C(C)=O
| PubChem CID | 16716 |
|---|---|
| CAS | 7250-94-4 |
| Molecular Weight (g/mol) | 178.19 |
| MDL Number | MFCD00017223 |
| SMILES | CC(=O)OC1=CC=CC=C1C(C)=O |
| Synonym | 2'-acetoxyacetophenone,2-acetylphenyl acetate,ethanone, 1-2-acetyloxy phenyl,o-acetoxyacetophenone,2'-acetoxy acetophenone,maybridge1_002653,acmc-209on8,acetic acid 2-acetyl-phenyl ester,acetophenone, 2-hydroxy-, acetate 8ci |
| IUPAC Name | (2-acetylphenyl) acetate |
| InChI Key | WWEDAIJJBDFOOK-UHFFFAOYSA-N |
| Molecular Formula | C10H10O3 |
2-Ethylacrolein, tech. 90%, stab. with 50ppm hydroquinone
CAS: 922-63-4 Molecular Formula: C5H8O Molecular Weight (g/mol): 84.12 MDL Number: MFCD00010129 InChI Key: GMLDCZYTIPCVMO-UHFFFAOYSA-N Synonym: 2-ethylacrolein,2-methylenebutanal,2-ethylpropenal,butanal, 2-methylene,ethacrolein,2-ethylacrylaldehyde,2-methylenebutyraldehyde,ethylacrolein,alpha-ethylacrolein,alpha-ethylacrylaldehyde PubChem CID: 70203 IUPAC Name: 2-methylidenebutanal SMILES: CCC(=C)C=O
| PubChem CID | 70203 |
|---|---|
| CAS | 922-63-4 |
| Molecular Weight (g/mol) | 84.12 |
| MDL Number | MFCD00010129 |
| SMILES | CCC(=C)C=O |
| Synonym | 2-ethylacrolein,2-methylenebutanal,2-ethylpropenal,butanal, 2-methylene,ethacrolein,2-ethylacrylaldehyde,2-methylenebutyraldehyde,ethylacrolein,alpha-ethylacrolein,alpha-ethylacrylaldehyde |
| IUPAC Name | 2-methylidenebutanal |
| InChI Key | GMLDCZYTIPCVMO-UHFFFAOYSA-N |
| Molecular Formula | C5H8O |
3-Mercapto-1-hexanol, 96%
CAS: 51755-83-0 Molecular Formula: C6H14OS Molecular Weight (g/mol): 134.237 MDL Number: MFCD00792515 InChI Key: TYZFMFVWHZKYSE-UHFFFAOYSA-N Synonym: 3-mercapto-1-hexanol,3-mercaptohexanol,3-mercaptohexan-1-ol,1-hexanol, 3-mercapto,3-thiohexan-1-ol,3-sulphanylhexan-1-ol,3-sulfanyl-1-hexanol,3-thiohexanol,acmc-209kvm,3-mercapto-hexan-1-ol PubChem CID: 521348 ChEBI: CHEBI:77690 IUPAC Name: 3-sulfanylhexan-1-ol SMILES: CCCC(CCO)S
| PubChem CID | 521348 |
|---|---|
| CAS | 51755-83-0 |
| Molecular Weight (g/mol) | 134.237 |
| ChEBI | CHEBI:77690 |
| MDL Number | MFCD00792515 |
| SMILES | CCCC(CCO)S |
| Synonym | 3-mercapto-1-hexanol,3-mercaptohexanol,3-mercaptohexan-1-ol,1-hexanol, 3-mercapto,3-thiohexan-1-ol,3-sulphanylhexan-1-ol,3-sulfanyl-1-hexanol,3-thiohexanol,acmc-209kvm,3-mercapto-hexan-1-ol |
| IUPAC Name | 3-sulfanylhexan-1-ol |
| InChI Key | TYZFMFVWHZKYSE-UHFFFAOYSA-N |
| Molecular Formula | C6H14OS |
3-(Methylthio)butyraldehyde, 95%
CAS: 16630-52-7 Molecular Formula: C5H10OS Molecular Weight (g/mol): 118.19 MDL Number: MFCD00036622 InChI Key: NCBDFIPMWRKPDU-UHFFFAOYNA-N Synonym: 3-methylthio butanal,3-methylthio butyraldehyde,butanal, 3-methylthio,3-methylsulfanyl butanal,beta-methylthio butyraldehyde,fema no. 3374,butyraldehyde, 3-methylthio,potato butyraldehyde,3-methylthiobutyraldehyde,butanal,3-methylthio PubChem CID: 61845 IUPAC Name: 3-methylsulfanylbutanal SMILES: CSC(C)CC=O
| PubChem CID | 61845 |
|---|---|
| CAS | 16630-52-7 |
| Molecular Weight (g/mol) | 118.19 |
| MDL Number | MFCD00036622 |
| SMILES | CSC(C)CC=O |
| Synonym | 3-methylthio butanal,3-methylthio butyraldehyde,butanal, 3-methylthio,3-methylsulfanyl butanal,beta-methylthio butyraldehyde,fema no. 3374,butyraldehyde, 3-methylthio,potato butyraldehyde,3-methylthiobutyraldehyde,butanal,3-methylthio |
| IUPAC Name | 3-methylsulfanylbutanal |
| InChI Key | NCBDFIPMWRKPDU-UHFFFAOYNA-N |
| Molecular Formula | C5H10OS |
2'-Hydroxy-4'-methoxyacetophenone, 99%
CAS: 552-41-0 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00008730 InChI Key: UILPJVPSNHJFIK-UHFFFAOYSA-N Synonym: paeonol,2'-hydroxy-4'-methoxyacetophenone,1-2-hydroxy-4-methoxyphenyl ethanone,peonol,2-hydroxy-4-methoxyacetophenone,1-2-hydroxy-4-methoxyphenyl ethan-1-one,resacetophenone-4-methyl ether,ethanone, 1-2-hydroxy-4-methoxyphenyl,paeonal,paeonolum PubChem CID: 11092 ChEBI: CHEBI:69581 IUPAC Name: 1-(2-hydroxy-4-methoxyphenyl)ethanone SMILES: CC(=O)C1=C(C=C(C=C1)OC)O
| PubChem CID | 11092 |
|---|---|
| CAS | 552-41-0 |
| Molecular Weight (g/mol) | 166.176 |
| ChEBI | CHEBI:69581 |
| MDL Number | MFCD00008730 |
| SMILES | CC(=O)C1=C(C=C(C=C1)OC)O |
| Synonym | paeonol,2'-hydroxy-4'-methoxyacetophenone,1-2-hydroxy-4-methoxyphenyl ethanone,peonol,2-hydroxy-4-methoxyacetophenone,1-2-hydroxy-4-methoxyphenyl ethan-1-one,resacetophenone-4-methyl ether,ethanone, 1-2-hydroxy-4-methoxyphenyl,paeonal,paeonolum |
| IUPAC Name | 1-(2-hydroxy-4-methoxyphenyl)ethanone |
| InChI Key | UILPJVPSNHJFIK-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
3-Methyl-2-butenal, 97%
CAS: 107-86-8 Molecular Formula: C5H8O Molecular Weight (g/mol): 84.118 MDL Number: MFCD00010291 InChI Key: SEPQTYODOKLVSB-UHFFFAOYSA-N Synonym: 3-methyl-2-butenal,prenal,3-methylcrotonaldehyde,senecialdehyde,3,3-dimethylacrolein,senecioaldehyde,2-butenal, 3-methyl,beta,beta-dimethylacrolein,crotonaldehyde, 3-methyl,beta-methylcrotonaldehyde PubChem CID: 61020 ChEBI: CHEBI:15825 IUPAC Name: 3-methylbut-2-enal SMILES: CC(=CC=O)C
| PubChem CID | 61020 |
|---|---|
| CAS | 107-86-8 |
| Molecular Weight (g/mol) | 84.118 |
| ChEBI | CHEBI:15825 |
| MDL Number | MFCD00010291 |
| SMILES | CC(=CC=O)C |
| Synonym | 3-methyl-2-butenal,prenal,3-methylcrotonaldehyde,senecialdehyde,3,3-dimethylacrolein,senecioaldehyde,2-butenal, 3-methyl,beta,beta-dimethylacrolein,crotonaldehyde, 3-methyl,beta-methylcrotonaldehyde |
| IUPAC Name | 3-methylbut-2-enal |
| InChI Key | SEPQTYODOKLVSB-UHFFFAOYSA-N |
| Molecular Formula | C5H8O |
2-Bromo-2',4'-dimethoxyacetophenone, 98%
CAS: 60965-26-6 Molecular Formula: C10H11BrO3 Molecular Weight (g/mol): 259.099 MDL Number: MFCD00000197 InChI Key: PKVBZABQCCQHLD-UHFFFAOYSA-N Synonym: 2-bromo-1-2,4-dimethoxyphenyl ethanone,2-bromo-2',4'-dimethoxyacetophenone,2,4-dimethoxyphenacyl bromide,2-bromo-1-2',4'-dimethoxyphenyl ethanone,2-bromo-1-2,4-dimethoxyphenyl ethan-1-one,ethanone, 2-bromo-1-2,4-dimethoxyphenyl,2-bromo-2',4'-dimethoxyacetopheneone,1-2,4-dimethoxyphenyl-2-bromoethan-1-one,pubchem13433,acmc-1ba4l PubChem CID: 98683 IUPAC Name: 2-bromo-1-(2,4-dimethoxyphenyl)ethanone SMILES: COC1=CC(=C(C=C1)C(=O)CBr)OC
| PubChem CID | 98683 |
|---|---|
| CAS | 60965-26-6 |
| Molecular Weight (g/mol) | 259.099 |
| MDL Number | MFCD00000197 |
| SMILES | COC1=CC(=C(C=C1)C(=O)CBr)OC |
| Synonym | 2-bromo-1-2,4-dimethoxyphenyl ethanone,2-bromo-2',4'-dimethoxyacetophenone,2,4-dimethoxyphenacyl bromide,2-bromo-1-2',4'-dimethoxyphenyl ethanone,2-bromo-1-2,4-dimethoxyphenyl ethan-1-one,ethanone, 2-bromo-1-2,4-dimethoxyphenyl,2-bromo-2',4'-dimethoxyacetopheneone,1-2,4-dimethoxyphenyl-2-bromoethan-1-one,pubchem13433,acmc-1ba4l |
| IUPAC Name | 2-bromo-1-(2,4-dimethoxyphenyl)ethanone |
| InChI Key | PKVBZABQCCQHLD-UHFFFAOYSA-N |
| Molecular Formula | C10H11BrO3 |
3',5'-Dibromo-2'-hydroxyacetophenone, 99%
CAS: 22362-66-9 Molecular Formula: C8H6Br2O2 Molecular Weight (g/mol): 293.942 MDL Number: MFCD00191992 InChI Key: RCKHUOIKVIOMGZ-UHFFFAOYSA-N Synonym: 3',5'-dibromo-2'-hydroxyacetophenone,1-3,5-dibromo-2-hydroxyphenyl ethanone,1-3,5-dibromo-2-hydroxyphenyl ethan-1-one,3´,5´-dibromo-2´-hydroxyacetophenone,1-acetyl-3,5-dibromo-2-hydroxybenzene,acmc-1cp7q,2-acetyl-4,6-dibromophenol,dibromooxochromenecarboxylicacid,3/',5/'-dibromo-2/'-hydroxyacetophenone,ethanone,1-3,5-dibromo-2-hydroxyphenyl PubChem CID: 271762 IUPAC Name: 1-(3,5-dibromo-2-hydroxyphenyl)ethanone SMILES: CC(=O)C1=CC(=CC(=C1O)Br)Br
| PubChem CID | 271762 |
|---|---|
| CAS | 22362-66-9 |
| Molecular Weight (g/mol) | 293.942 |
| MDL Number | MFCD00191992 |
| SMILES | CC(=O)C1=CC(=CC(=C1O)Br)Br |
| Synonym | 3',5'-dibromo-2'-hydroxyacetophenone,1-3,5-dibromo-2-hydroxyphenyl ethanone,1-3,5-dibromo-2-hydroxyphenyl ethan-1-one,3´,5´-dibromo-2´-hydroxyacetophenone,1-acetyl-3,5-dibromo-2-hydroxybenzene,acmc-1cp7q,2-acetyl-4,6-dibromophenol,dibromooxochromenecarboxylicacid,3/',5/'-dibromo-2/'-hydroxyacetophenone,ethanone,1-3,5-dibromo-2-hydroxyphenyl |
| IUPAC Name | 1-(3,5-dibromo-2-hydroxyphenyl)ethanone |
| InChI Key | RCKHUOIKVIOMGZ-UHFFFAOYSA-N |
| Molecular Formula | C8H6Br2O2 |
| CAS | 2378-02-1 |
|---|---|
| MDL Number | MFCD00042092 |
5-Methoxyisatin, 97%
CAS: 39755-95-8 Molecular Formula: C9H7NO3 Molecular Weight (g/mol): 177.16 MDL Number: MFCD00169023 InChI Key: DMHGXMPXHPOXBF-UHFFFAOYSA-N Synonym: 5-methoxyisatin,5-methoxyindoline-2,3-dione,5-methoxy-2,3-indolinedione,1h-indole-2,3-dione, 5-methoxy,5-methoxy-indole-2,3-dione,5-methoxy isatin,5-methoxyindole-2,3-dione,5-methoxy-2,3-dihydro-1h-indole-2,3-dione,indole-2,3-dione, 5-methoxy,1h-indole-2,3-dione, 5-methoxy-9ci PubChem CID: 38333 SMILES: COC1=CC=C2NC(=O)C(=O)C2=C1
| PubChem CID | 38333 |
|---|---|
| CAS | 39755-95-8 |
| Molecular Weight (g/mol) | 177.16 |
| MDL Number | MFCD00169023 |
| SMILES | COC1=CC=C2NC(=O)C(=O)C2=C1 |
| Synonym | 5-methoxyisatin,5-methoxyindoline-2,3-dione,5-methoxy-2,3-indolinedione,1h-indole-2,3-dione, 5-methoxy,5-methoxy-indole-2,3-dione,5-methoxy isatin,5-methoxyindole-2,3-dione,5-methoxy-2,3-dihydro-1h-indole-2,3-dione,indole-2,3-dione, 5-methoxy,1h-indole-2,3-dione, 5-methoxy-9ci |
| InChI Key | DMHGXMPXHPOXBF-UHFFFAOYSA-N |
| Molecular Formula | C9H7NO3 |
1,2-Bis(2-chloroethoxy)ethane, 97%
CAS: 112-26-5 Molecular Formula: C6H12Cl2O2 Molecular Weight (g/mol): 187.06 MDL Number: MFCD00000976 InChI Key: AGYUOJIYYGGHKV-UHFFFAOYSA-N Synonym: 1,2-bis 2-chloroethoxy ethane,triglycol dichloride,triethylene glycol dichloride,ethane, 1,2-bis 2-chloroethoxy,1,8-dichloro-3,6-dioxaoctane,1,2-bis chloroethoxy ethane,bis 2-chloroethoxy ethane,di 2-chloroethyl cellosolve,2-2-chloroethoxy ethyl 2'-chloroethyl ether,unii-28jq82m13j PubChem CID: 8171 IUPAC Name: 1,2-bis(2-chloroethoxy)ethane SMILES: ClCCOCCOCCCl
| PubChem CID | 8171 |
|---|---|
| CAS | 112-26-5 |
| Molecular Weight (g/mol) | 187.06 |
| MDL Number | MFCD00000976 |
| SMILES | ClCCOCCOCCCl |
| Synonym | 1,2-bis 2-chloroethoxy ethane,triglycol dichloride,triethylene glycol dichloride,ethane, 1,2-bis 2-chloroethoxy,1,8-dichloro-3,6-dioxaoctane,1,2-bis chloroethoxy ethane,bis 2-chloroethoxy ethane,di 2-chloroethyl cellosolve,2-2-chloroethoxy ethyl 2'-chloroethyl ether,unii-28jq82m13j |
| IUPAC Name | 1,2-bis(2-chloroethoxy)ethane |
| InChI Key | AGYUOJIYYGGHKV-UHFFFAOYSA-N |
| Molecular Formula | C6H12Cl2O2 |
Diethyl benzylmalonate, 97%
CAS: 607-81-8 Molecular Formula: C14H18O4 Molecular Weight (g/mol): 250.294 MDL Number: MFCD00009166 InChI Key: ICZLTZWATFXDLP-UHFFFAOYSA-N Synonym: diethyl benzylmalonate,diethyl 2-benzylmalonate,benzylmalonic acid diethyl ester,propanedioic acid, phenylmethyl-, diethyl ester,unii-40y0x0xn6p,malonic acid, benzyl-, diethyl ester,malonic acid, 2-benzyl-, diethyl ester,diethyl benzyl malonate,1,3-diethyl 2-benzylpropanedioate,diethyl benzylpropanedioate PubChem CID: 69090 IUPAC Name: diethyl 2-benzylpropanedioate SMILES: CCOC(=O)C(CC1=CC=CC=C1)C(=O)OCC
| PubChem CID | 69090 |
|---|---|
| CAS | 607-81-8 |
| Molecular Weight (g/mol) | 250.294 |
| MDL Number | MFCD00009166 |
| SMILES | CCOC(=O)C(CC1=CC=CC=C1)C(=O)OCC |
| Synonym | diethyl benzylmalonate,diethyl 2-benzylmalonate,benzylmalonic acid diethyl ester,propanedioic acid, phenylmethyl-, diethyl ester,unii-40y0x0xn6p,malonic acid, benzyl-, diethyl ester,malonic acid, 2-benzyl-, diethyl ester,diethyl benzyl malonate,1,3-diethyl 2-benzylpropanedioate,diethyl benzylpropanedioate |
| IUPAC Name | diethyl 2-benzylpropanedioate |
| InChI Key | ICZLTZWATFXDLP-UHFFFAOYSA-N |
| Molecular Formula | C14H18O4 |
Diethoxymethane, 99%, stab. with 100ppm BHT
CAS: 462-95-3 Molecular Formula: C5H12O2 Molecular Weight (g/mol): 104.15 MDL Number: MFCD00009246 InChI Key: KLKFAASOGCDTDT-UHFFFAOYSA-N Synonym: diethoxymethane,ethylal,formaldehyde diethyl acetal,diethylformal,diethoxy methane,methane, diethoxy,ethoxymethoxy ethane,ethoxymethyl ethyl ether,1,1-diethoxymethane,3,5-dioxaheptene PubChem CID: 10024 IUPAC Name: ethoxymethoxyethane SMILES: CCOCOCC
| PubChem CID | 10024 |
|---|---|
| CAS | 462-95-3 |
| Molecular Weight (g/mol) | 104.15 |
| MDL Number | MFCD00009246 |
| SMILES | CCOCOCC |
| Synonym | diethoxymethane,ethylal,formaldehyde diethyl acetal,diethylformal,diethoxy methane,methane, diethoxy,ethoxymethoxy ethane,ethoxymethyl ethyl ether,1,1-diethoxymethane,3,5-dioxaheptene |
| IUPAC Name | ethoxymethoxyethane |
| InChI Key | KLKFAASOGCDTDT-UHFFFAOYSA-N |
| Molecular Formula | C5H12O2 |
4-Acetylbenzeneboronic acid, 98%
CAS: 149104-90-5 Molecular Formula: C8H9BO3 Molecular Weight (g/mol): 163.97 MDL Number: MFCD01074667 InChI Key: OBQRODBYVNIZJU-UHFFFAOYSA-N Synonym: 4-acetylphenyl boronic acid,p-acetylphenylboronic acid,4-acetylbenzeneboronic acid,1-4-dihydroxyboranyl phenyl ethan-1-one,boronic acid, 4-acetylphenyl,4acetylphenylboronic acid,4-actylphenylboronic acid,4acetylbenzeneboronic acid,p-acetylbenzeneboronic acid PubChem CID: 3702122 IUPAC Name: (4-acetylphenyl)boronic acid SMILES: CC(=O)C1=CC=C(C=C1)B(O)O
| PubChem CID | 3702122 |
|---|---|
| CAS | 149104-90-5 |
| Molecular Weight (g/mol) | 163.97 |
| MDL Number | MFCD01074667 |
| SMILES | CC(=O)C1=CC=C(C=C1)B(O)O |
| Synonym | 4-acetylphenyl boronic acid,p-acetylphenylboronic acid,4-acetylbenzeneboronic acid,1-4-dihydroxyboranyl phenyl ethan-1-one,boronic acid, 4-acetylphenyl,4acetylphenylboronic acid,4-actylphenylboronic acid,4acetylbenzeneboronic acid,p-acetylbenzeneboronic acid |
| IUPAC Name | (4-acetylphenyl)boronic acid |
| InChI Key | OBQRODBYVNIZJU-UHFFFAOYSA-N |
| Molecular Formula | C8H9BO3 |