Organooxygen compounds
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Ethyl acetoacetate, 99%, pure
CAS: 141-97-9 Molecular Formula: C6H10O3 Molecular Weight (g/mol): 130.14 MDL Number: MFCD00009199 InChI Key: XYIBRDXRRQCHLP-UHFFFAOYSA-N Synonym: ethyl acetoacetate,ethyl acetylacetate,ethyl 3-oxobutyrate,diacetic ether,butanoic acid, 3-oxo-, ethyl ester,ethyl acetylacetonate,acetoacetic acid, ethyl ester,3-oxobutanoic acid ethyl ester,3-oxo-butyric acid ethyl ester,active acetylacetate PubChem CID: 8868 ChEBI: CHEBI:4893 IUPAC Name: ethyl 3-oxobutanoate SMILES: CCOC(=O)CC(=O)C
| PubChem CID | 8868 |
|---|---|
| CAS | 141-97-9 |
| Molecular Weight (g/mol) | 130.14 |
| ChEBI | CHEBI:4893 |
| MDL Number | MFCD00009199 |
| SMILES | CCOC(=O)CC(=O)C |
| Synonym | ethyl acetoacetate,ethyl acetylacetate,ethyl 3-oxobutyrate,diacetic ether,butanoic acid, 3-oxo-, ethyl ester,ethyl acetylacetonate,acetoacetic acid, ethyl ester,3-oxobutanoic acid ethyl ester,3-oxo-butyric acid ethyl ester,active acetylacetate |
| IUPAC Name | ethyl 3-oxobutanoate |
| InChI Key | XYIBRDXRRQCHLP-UHFFFAOYSA-N |
| Molecular Formula | C6H10O3 |
3-Methoxy-1-propanol, 98%
CAS: 1589-49-7 Molecular Formula: C4H10O2 Molecular Weight (g/mol): 90.12 InChI Key: JDFDHBSESGTDAL-UHFFFAOYSA-N Synonym: 3-methoxy-1-propanol,1-propanol, 3-methoxy,3-methoxypropanol,trimethylene glycol monomethyl ether,beta-pgme,1,3-propanediol monomethyl ether,unii-oak281wz1p,propylene glycol monomethyl ether, beta,oak281wz1p,mpol PubChem CID: 74116 IUPAC Name: 3-methoxypropan-1-ol SMILES: COCCCO
| PubChem CID | 74116 |
|---|---|
| CAS | 1589-49-7 |
| Molecular Weight (g/mol) | 90.12 |
| SMILES | COCCCO |
| Synonym | 3-methoxy-1-propanol,1-propanol, 3-methoxy,3-methoxypropanol,trimethylene glycol monomethyl ether,beta-pgme,1,3-propanediol monomethyl ether,unii-oak281wz1p,propylene glycol monomethyl ether, beta,oak281wz1p,mpol |
| IUPAC Name | 3-methoxypropan-1-ol |
| InChI Key | JDFDHBSESGTDAL-UHFFFAOYSA-N |
| Molecular Formula | C4H10O2 |
4'-Methoxyacetophenone, 98%
CAS: 100-06-1 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.18 MDL Number: MFCD00008745 InChI Key: NTPLXRHDUXRPNE-UHFFFAOYSA-N Synonym: 4'-methoxyacetophenone,4-acetylanisole,4-methoxyacetophenone,1-4-methoxyphenyl ethanone,p-methoxyacetophenone,acetanisole,novatone,linarodin,vananote,ethanone, 1-4-methoxyphenyl PubChem CID: 7476 ChEBI: CHEBI:86567 SMILES: COC1=CC=C(C=C1)C(C)=O
| PubChem CID | 7476 |
|---|---|
| CAS | 100-06-1 |
| Molecular Weight (g/mol) | 150.18 |
| ChEBI | CHEBI:86567 |
| MDL Number | MFCD00008745 |
| SMILES | COC1=CC=C(C=C1)C(C)=O |
| Synonym | 4'-methoxyacetophenone,4-acetylanisole,4-methoxyacetophenone,1-4-methoxyphenyl ethanone,p-methoxyacetophenone,acetanisole,novatone,linarodin,vananote,ethanone, 1-4-methoxyphenyl |
| InChI Key | NTPLXRHDUXRPNE-UHFFFAOYSA-N |
| Molecular Formula | C9H10O2 |
Dimethyl 1,4-cyclohexanedione-2,5-dicarboxylate, 98+%
CAS: 6289-46-9 Molecular Formula: C10H12O6 Molecular Weight (g/mol): 228.20 MDL Number: MFCD00001607 InChI Key: MHKKFFHWMKEBDW-UHFFFAOYNA-N Synonym: dimethyl succinylsuccinate,dimethyl 1,4-cyclohexanedione-2,5-dicarboxylate,succinosuccinic acid, dimethyl ester,dmss,dimethyl succinylosuccinate,dimethyl 2,5-dioxo-1,4-cyclohexanedicarboxylate,dimethyl succinylo succinate,1,4-cyclohexanedicarboxylic acid, 2,5-dioxo-, dimethyl ester,2,5-dioxo-1,4-cyclohexanedicarboxylic acid dimethyl ester,1,4-cyclohexanedicarboxylic acid, 2,5-dioxo-, 1,4-dimethyl ester PubChem CID: 94866 IUPAC Name: dimethyl 2,5-dioxocyclohexane-1,4-dicarboxylate SMILES: COC(=O)C1CC(=O)C(CC1=O)C(=O)OC
| PubChem CID | 94866 |
|---|---|
| CAS | 6289-46-9 |
| Molecular Weight (g/mol) | 228.20 |
| MDL Number | MFCD00001607 |
| SMILES | COC(=O)C1CC(=O)C(CC1=O)C(=O)OC |
| Synonym | dimethyl succinylsuccinate,dimethyl 1,4-cyclohexanedione-2,5-dicarboxylate,succinosuccinic acid, dimethyl ester,dmss,dimethyl succinylosuccinate,dimethyl 2,5-dioxo-1,4-cyclohexanedicarboxylate,dimethyl succinylo succinate,1,4-cyclohexanedicarboxylic acid, 2,5-dioxo-, dimethyl ester,2,5-dioxo-1,4-cyclohexanedicarboxylic acid dimethyl ester,1,4-cyclohexanedicarboxylic acid, 2,5-dioxo-, 1,4-dimethyl ester |
| IUPAC Name | dimethyl 2,5-dioxocyclohexane-1,4-dicarboxylate |
| InChI Key | MHKKFFHWMKEBDW-UHFFFAOYNA-N |
| Molecular Formula | C10H12O6 |
2-Chloro-4,6-dimethoxy-1,3,5-triazine, 98%
CAS: 3140-73-6 Molecular Formula: C5H6ClN3O2 Molecular Weight (g/mol): 175.57 MDL Number: MFCD00075607 InChI Key: GPIQOFWTZXXOOV-UHFFFAOYSA-N Synonym: cdmt,1,3,5-triazine, 2-chloro-4,6-dimethoxy,2-chloro-4,6-dimethoxy-s-triazine,2-chloro-4,6-dimethoxy-1,3,5 triazine,pubchem20734,acmc-1cnh7,ksc567a8j,2-chloro-4,6-dimethoxy s-triazine,1,5-triazine, 2-chloro-4,6-dimethoxy PubChem CID: 18450 IUPAC Name: 2-chloro-4,6-dimethoxy-1,3,5-triazine SMILES: COC1=NC(OC)=NC(Cl)=N1
| PubChem CID | 18450 |
|---|---|
| CAS | 3140-73-6 |
| Molecular Weight (g/mol) | 175.57 |
| MDL Number | MFCD00075607 |
| SMILES | COC1=NC(OC)=NC(Cl)=N1 |
| Synonym | cdmt,1,3,5-triazine, 2-chloro-4,6-dimethoxy,2-chloro-4,6-dimethoxy-s-triazine,2-chloro-4,6-dimethoxy-1,3,5 triazine,pubchem20734,acmc-1cnh7,ksc567a8j,2-chloro-4,6-dimethoxy s-triazine,1,5-triazine, 2-chloro-4,6-dimethoxy |
| IUPAC Name | 2-chloro-4,6-dimethoxy-1,3,5-triazine |
| InChI Key | GPIQOFWTZXXOOV-UHFFFAOYSA-N |
| Molecular Formula | C5H6ClN3O2 |
1-Ethoxy-2-propanol, 95%
CAS: 1569-02-4 Molecular Formula: C5H12O2 Molecular Weight (g/mol): 104.15 MDL Number: MFCD00067050 InChI Key: JOLQKTGDSGKSKJ-UHFFFAOYNA-N Synonym: 1-ethoxy-2-propanol,propylene glycol monoethyl ether,2-propanol, 1-ethoxy,propylene glycol ethyl ether,1-ethoxy-propan-2-ol,arcosolv r pe,1-ethoxy-2-propan,1-ethoxy-2-propano,acmc-1byqk,2-hydroxypropylethylether PubChem CID: 15287 IUPAC Name: 1-ethoxypropan-2-ol SMILES: CCOCC(C)O
| PubChem CID | 15287 |
|---|---|
| CAS | 1569-02-4 |
| Molecular Weight (g/mol) | 104.15 |
| MDL Number | MFCD00067050 |
| SMILES | CCOCC(C)O |
| Synonym | 1-ethoxy-2-propanol,propylene glycol monoethyl ether,2-propanol, 1-ethoxy,propylene glycol ethyl ether,1-ethoxy-propan-2-ol,arcosolv r pe,1-ethoxy-2-propan,1-ethoxy-2-propano,acmc-1byqk,2-hydroxypropylethylether |
| IUPAC Name | 1-ethoxypropan-2-ol |
| InChI Key | JOLQKTGDSGKSKJ-UHFFFAOYNA-N |
| Molecular Formula | C5H12O2 |
trans-4-Aminocyclohexanol, 97%
CAS: 27489-62-9 Molecular Formula: C6H13NO Molecular Weight (g/mol): 115.17 InChI Key: IMLXLGZJLAOKJN-UHFFFAOYSA-N Synonym: trans-4-aminocyclohexanol,4-aminocyclohexanol,cis-4-aminocyclohexanol,cis-4-amino-cyclohexanol,cyclohexanol, 4-amino-, trans,1r,4r-4-aminocyclohexan-1-ol,cyclohexanol, 4-amino,trans-4-hydroxycyclohexylamine,1r,4r-4-aminocyclohexanol,aminocyclohexanol trans-4 PubChem CID: 81293 IUPAC Name: 4-aminocyclohexan-1-ol SMILES: C1CC(CCC1N)O
| PubChem CID | 81293 |
|---|---|
| CAS | 27489-62-9 |
| Molecular Weight (g/mol) | 115.17 |
| SMILES | C1CC(CCC1N)O |
| Synonym | trans-4-aminocyclohexanol,4-aminocyclohexanol,cis-4-aminocyclohexanol,cis-4-amino-cyclohexanol,cyclohexanol, 4-amino-, trans,1r,4r-4-aminocyclohexan-1-ol,cyclohexanol, 4-amino,trans-4-hydroxycyclohexylamine,1r,4r-4-aminocyclohexanol,aminocyclohexanol trans-4 |
| IUPAC Name | 4-aminocyclohexan-1-ol |
| InChI Key | IMLXLGZJLAOKJN-UHFFFAOYSA-N |
| Molecular Formula | C6H13NO |
Nonanophenone, 97%
CAS: 6008-36-2 Molecular Formula: C15H22O Molecular Weight (g/mol): 218.34 MDL Number: MFCD00048965 InChI Key: PFUPABFCHVRLLY-UHFFFAOYSA-N Synonym: nonanophenone,n-nonanophenone,n-octyl phenyl ketone,1-phenyl-1-nonanone,1-nonanone, 1-phenyl,1-phenyl-nonan-1-one,acmc-209mhy PubChem CID: 80108 IUPAC Name: 1-phenylnonan-1-one SMILES: CCCCCCCCC(=O)C1=CC=CC=C1
| PubChem CID | 80108 |
|---|---|
| CAS | 6008-36-2 |
| Molecular Weight (g/mol) | 218.34 |
| MDL Number | MFCD00048965 |
| SMILES | CCCCCCCCC(=O)C1=CC=CC=C1 |
| Synonym | nonanophenone,n-nonanophenone,n-octyl phenyl ketone,1-phenyl-1-nonanone,1-nonanone, 1-phenyl,1-phenyl-nonan-1-one,acmc-209mhy |
| IUPAC Name | 1-phenylnonan-1-one |
| InChI Key | PFUPABFCHVRLLY-UHFFFAOYSA-N |
| Molecular Formula | C15H22O |
2-Bromo-1-[4-(3-bromothien-2-yl)phenyl]ethanone, 97%, Thermo Scientific™
CAS: 944450-89-9 Molecular Formula: C12H8Br2OS Molecular Weight (g/mol): 360.06 MDL Number: MFCD09879969 InChI Key: YTVAARIMMJZZIE-UHFFFAOYSA-N Synonym: 2-bromo-1-4-3-bromothien-2-yl phenyl ethanone,2-bromo-1-4-3-bromothiophen-2-yl phenyl ethan-1-one,2-bromo-1-4-3-bromothiophen-2-yl phenyl ethanone,4-3-bromothien-2-yl phenacyl bromide,4-4-bromothien-2-yl phenacyl bromide PubChem CID: 24229752 IUPAC Name: 2-bromo-1-[4-(3-bromothiophen-2-yl)phenyl]ethanone SMILES: BrCC(=O)C1=CC=C(C=C1)C1=C(Br)C=CS1
| PubChem CID | 24229752 |
|---|---|
| CAS | 944450-89-9 |
| Molecular Weight (g/mol) | 360.06 |
| MDL Number | MFCD09879969 |
| SMILES | BrCC(=O)C1=CC=C(C=C1)C1=C(Br)C=CS1 |
| Synonym | 2-bromo-1-4-3-bromothien-2-yl phenyl ethanone,2-bromo-1-4-3-bromothiophen-2-yl phenyl ethan-1-one,2-bromo-1-4-3-bromothiophen-2-yl phenyl ethanone,4-3-bromothien-2-yl phenacyl bromide,4-4-bromothien-2-yl phenacyl bromide |
| IUPAC Name | 2-bromo-1-[4-(3-bromothiophen-2-yl)phenyl]ethanone |
| InChI Key | YTVAARIMMJZZIE-UHFFFAOYSA-N |
| Molecular Formula | C12H8Br2OS |
2-(4-Methoxybenzoyl)thiophene, 97%
CAS: 4160-63-8 Molecular Formula: C12H10O2S Molecular Weight (g/mol): 218.27 MDL Number: MFCD00005440 InChI Key: KYVBFEMQEUXVQB-UHFFFAOYSA-N Synonym: 2-4-methoxybenzoyl thiophene,4-methoxyphenyl thiophen-2-yl methanone,2-p-methoxybenzoyl thiophene,p-anisyl thiophen-2-yl ketone,4-methoxyphenyl 2-thienyl ketone,methanone, 4-methoxyphenyl-2-thienyl,4-methoxyphenyl 2-thienyl methanone,pubchem10833,acmc-1aikh,2-thienyl p-anisyl ketone PubChem CID: 77812 IUPAC Name: (4-methoxyphenyl)-thiophen-2-ylmethanone SMILES: COC1=CC=C(C=C1)C(=O)C2=CC=CS2
| PubChem CID | 77812 |
|---|---|
| CAS | 4160-63-8 |
| Molecular Weight (g/mol) | 218.27 |
| MDL Number | MFCD00005440 |
| SMILES | COC1=CC=C(C=C1)C(=O)C2=CC=CS2 |
| Synonym | 2-4-methoxybenzoyl thiophene,4-methoxyphenyl thiophen-2-yl methanone,2-p-methoxybenzoyl thiophene,p-anisyl thiophen-2-yl ketone,4-methoxyphenyl 2-thienyl ketone,methanone, 4-methoxyphenyl-2-thienyl,4-methoxyphenyl 2-thienyl methanone,pubchem10833,acmc-1aikh,2-thienyl p-anisyl ketone |
| IUPAC Name | (4-methoxyphenyl)-thiophen-2-ylmethanone |
| InChI Key | KYVBFEMQEUXVQB-UHFFFAOYSA-N |
| Molecular Formula | C12H10O2S |
Diethyl 1,3-acetonedicarboxylate, 95%
CAS: 105-50-0 Molecular Formula: C9H14O5 Molecular Weight (g/mol): 202.21 MDL Number: MFCD00009200 InChI Key: ZSANYRMTSBBUCA-UHFFFAOYSA-N Synonym: diethyl 1,3-acetonedicarboxylate,diethyl 3-oxoglutarate,1,5-diethyl 3-oxopentanedioate,pentanedioic acid, 3-oxo-, diethyl ester,ethyl acetonedicarboxylate,ethyl 3-oxoglutarate,diethyl acetone-1,3-dicarboxylate,diethyl acetone dicarboxylate,3-oxopentanedioic acid diethyl ester,acetonedicarboxylic acid diethyl ester PubChem CID: 66045 IUPAC Name: diethyl 3-oxopentanedioate SMILES: CCOC(=O)CC(=O)CC(=O)OCC
| PubChem CID | 66045 |
|---|---|
| CAS | 105-50-0 |
| Molecular Weight (g/mol) | 202.21 |
| MDL Number | MFCD00009200 |
| SMILES | CCOC(=O)CC(=O)CC(=O)OCC |
| Synonym | diethyl 1,3-acetonedicarboxylate,diethyl 3-oxoglutarate,1,5-diethyl 3-oxopentanedioate,pentanedioic acid, 3-oxo-, diethyl ester,ethyl acetonedicarboxylate,ethyl 3-oxoglutarate,diethyl acetone-1,3-dicarboxylate,diethyl acetone dicarboxylate,3-oxopentanedioic acid diethyl ester,acetonedicarboxylic acid diethyl ester |
| IUPAC Name | diethyl 3-oxopentanedioate |
| InChI Key | ZSANYRMTSBBUCA-UHFFFAOYSA-N |
| Molecular Formula | C9H14O5 |
2-(Bromomethyl)-2-(hydroxymethyl)-1,3-propanediol, 99%, Thermo Scientific Chemicals
CAS: 19184-65-7 Molecular Formula: C5H11BrO3 Molecular Weight (g/mol): 199.05 MDL Number: MFCD00135306 InChI Key: MMHHBAUIJVTLFZ-UHFFFAOYSA-N Synonym: 2-bromomethyl-2-hydroxymethyl propane-1,3-diol,2-bromomethyl-2-hydroxymethyl-1,3-propanediol,1,3-propanediol, 2-bromomethyl-2-hydroxymethyl,tris hydroxymethyl bromomethyl methane,monobromoneopentyltriol,2-bromoethylidynetrimethanol,pentaerythritol monobromohydrin,1, 2-bromomethyl-2-hydroxymethyl,2,2-bis hydroxymethyl-3-bromopropan-1-ol,2,2-bis hydroxymethyl-3-hydroxypropyl bromide PubChem CID: 87954 IUPAC Name: 2-(bromomethyl)-2-(hydroxymethyl)propane-1,3-diol SMILES: C(C(CO)(CO)CBr)O
| PubChem CID | 87954 |
|---|---|
| CAS | 19184-65-7 |
| Molecular Weight (g/mol) | 199.05 |
| MDL Number | MFCD00135306 |
| SMILES | C(C(CO)(CO)CBr)O |
| Synonym | 2-bromomethyl-2-hydroxymethyl propane-1,3-diol,2-bromomethyl-2-hydroxymethyl-1,3-propanediol,1,3-propanediol, 2-bromomethyl-2-hydroxymethyl,tris hydroxymethyl bromomethyl methane,monobromoneopentyltriol,2-bromoethylidynetrimethanol,pentaerythritol monobromohydrin,1, 2-bromomethyl-2-hydroxymethyl,2,2-bis hydroxymethyl-3-bromopropan-1-ol,2,2-bis hydroxymethyl-3-hydroxypropyl bromide |
| IUPAC Name | 2-(bromomethyl)-2-(hydroxymethyl)propane-1,3-diol |
| InChI Key | MMHHBAUIJVTLFZ-UHFFFAOYSA-N |
| Molecular Formula | C5H11BrO3 |
Di-n-butyl ether, 99+%, Extra Dry, AcroSeal™
CAS: 142-96-1 Molecular Formula: C8H18O Molecular Weight (g/mol): 130.23 MDL Number: MFCD00009461 InChI Key: DURPTKYDGMDSBL-UHFFFAOYSA-N Synonym: di-n-butyl ether,butyl ether,dibutyl ether,butane, 1,1'-oxybis,n-butyl ether,dibutyl oxide,butyl oxide,ether butylique,1,1'-oxybis butane,di-n-butylether PubChem CID: 8909 IUPAC Name: 1-butoxybutane SMILES: CCCCOCCCC
| PubChem CID | 8909 |
|---|---|
| CAS | 142-96-1 |
| Molecular Weight (g/mol) | 130.23 |
| MDL Number | MFCD00009461 |
| SMILES | CCCCOCCCC |
| Synonym | di-n-butyl ether,butyl ether,dibutyl ether,butane, 1,1'-oxybis,n-butyl ether,dibutyl oxide,butyl oxide,ether butylique,1,1'-oxybis butane,di-n-butylether |
| IUPAC Name | 1-butoxybutane |
| InChI Key | DURPTKYDGMDSBL-UHFFFAOYSA-N |
| Molecular Formula | C8H18O |
Butyraldehyde diethylacetal, 97%
CAS: 3658-95-5 Molecular Formula: C8H18O2 Molecular Weight (g/mol): 146.23 MDL Number: MFCD00038316 InChI Key: UVHXZFGCCJLFMX-UHFFFAOYSA-N Synonym: butane, 1,1-diethoxy,butyraldehyde, diethyl acetal,butyraldehyde diethyl acetal,butylaldehyde diethyl acetal,n-butyraldehyde diethyl acetal,butyraldehyde diethyl acetal, analytical standard PubChem CID: 77225 IUPAC Name: 1,1-diethoxybutane SMILES: CCCC(OCC)OCC
| PubChem CID | 77225 |
|---|---|
| CAS | 3658-95-5 |
| Molecular Weight (g/mol) | 146.23 |
| MDL Number | MFCD00038316 |
| SMILES | CCCC(OCC)OCC |
| Synonym | butane, 1,1-diethoxy,butyraldehyde, diethyl acetal,butyraldehyde diethyl acetal,butylaldehyde diethyl acetal,n-butyraldehyde diethyl acetal,butyraldehyde diethyl acetal, analytical standard |
| IUPAC Name | 1,1-diethoxybutane |
| InChI Key | UVHXZFGCCJLFMX-UHFFFAOYSA-N |
| Molecular Formula | C8H18O2 |
3-Hydroxy-3-methyl-2-butanone, 90+%
CAS: 115-22-0 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.133 MDL Number: MFCD00004460 InChI Key: BNDRWEVUODOUDW-UHFFFAOYSA-N Synonym: 3-hydroxy-3-methyl-2-butanone,3-methylacetoin,methylacetoin,2-butanone, 3-hydroxy-3-methyl,dimethylacetylcarbinol,2-hydroxy-2-methyl-3-butanone,2-methyl-2-hydroxybutan-3-one,1-hydroxy-1-methylethyl methyl ketone,3-hydroxy-3-methyl-butan-2-one,3-hydroxy-3-ethylbutanone PubChem CID: 8261 IUPAC Name: 3-hydroxy-3-methylbutan-2-one SMILES: CC(=O)C(C)(C)O
| PubChem CID | 8261 |
|---|---|
| CAS | 115-22-0 |
| Molecular Weight (g/mol) | 102.133 |
| MDL Number | MFCD00004460 |
| SMILES | CC(=O)C(C)(C)O |
| Synonym | 3-hydroxy-3-methyl-2-butanone,3-methylacetoin,methylacetoin,2-butanone, 3-hydroxy-3-methyl,dimethylacetylcarbinol,2-hydroxy-2-methyl-3-butanone,2-methyl-2-hydroxybutan-3-one,1-hydroxy-1-methylethyl methyl ketone,3-hydroxy-3-methyl-butan-2-one,3-hydroxy-3-ethylbutanone |
| IUPAC Name | 3-hydroxy-3-methylbutan-2-one |
| InChI Key | BNDRWEVUODOUDW-UHFFFAOYSA-N |
| Molecular Formula | C5H10O2 |