Organooxygen compounds
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1-Phenyl-1,3-butanedione, Spectrum™ Chemical
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CAS: 93-91-4
| CAS | 93-91-4 |
|---|
6-Methylpyridine-3-carboxaldehyde, 96%
CAS: 53014-84-9 Molecular Formula: C7H7NO Molecular Weight (g/mol): 121.14 MDL Number: MFCD08272279 InChI Key: IMWMEIWYPWVABQ-UHFFFAOYSA-N Synonym: 6-methylnicotinaldehyde,2-methyl-5-formylpyridine,6-methyl-pyridine-3-carbaldehyde,3-formyl-6-methyl-pyridine,5-formyl-2-methylpyridine,5-formyl-2-picoline,6-methylpyridine-3-carboxaldehyde,3-pyridinecarboxaldehyde, 6-methyl,3-formyl-6-methylpyridine,6-methylpyridyl-3-carboxaldehyde PubChem CID: 10192566 IUPAC Name: 6-methylpyridine-3-carbaldehyde SMILES: CC1=NC=C(C=O)C=C1
| PubChem CID | 10192566 |
|---|---|
| CAS | 53014-84-9 |
| Molecular Weight (g/mol) | 121.14 |
| MDL Number | MFCD08272279 |
| SMILES | CC1=NC=C(C=O)C=C1 |
| Synonym | 6-methylnicotinaldehyde,2-methyl-5-formylpyridine,6-methyl-pyridine-3-carbaldehyde,3-formyl-6-methyl-pyridine,5-formyl-2-methylpyridine,5-formyl-2-picoline,6-methylpyridine-3-carboxaldehyde,3-pyridinecarboxaldehyde, 6-methyl,3-formyl-6-methylpyridine,6-methylpyridyl-3-carboxaldehyde |
| IUPAC Name | 6-methylpyridine-3-carbaldehyde |
| InChI Key | IMWMEIWYPWVABQ-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO |
3'-Methoxyacetophenone, 97%
CAS: 586-37-8 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.177 MDL Number: MFCD00008736 InChI Key: BAYUSCHCCGXLAY-UHFFFAOYSA-N Synonym: 3'-methoxyacetophenone,3-methoxyacetophenone,3-acetylanisole,m-methoxyacetophenone,1-3-methoxyphenyl ethanone,ethanone, 1-3-methoxyphenyl,m-acetanisole,acetophenone, m-methoxy,1-3-methoxyphenyl ethan-1-one,acetophenone, 3'-methoxy PubChem CID: 11460 IUPAC Name: 1-(3-methoxyphenyl)ethanone SMILES: CC(=O)C1=CC(=CC=C1)OC
| PubChem CID | 11460 |
|---|---|
| CAS | 586-37-8 |
| Molecular Weight (g/mol) | 150.177 |
| MDL Number | MFCD00008736 |
| SMILES | CC(=O)C1=CC(=CC=C1)OC |
| Synonym | 3'-methoxyacetophenone,3-methoxyacetophenone,3-acetylanisole,m-methoxyacetophenone,1-3-methoxyphenyl ethanone,ethanone, 1-3-methoxyphenyl,m-acetanisole,acetophenone, m-methoxy,1-3-methoxyphenyl ethan-1-one,acetophenone, 3'-methoxy |
| IUPAC Name | 1-(3-methoxyphenyl)ethanone |
| InChI Key | BAYUSCHCCGXLAY-UHFFFAOYSA-N |
| Molecular Formula | C9H10O2 |
Diethyl malonate, 99%
CAS: 105-53-3 Molecular Formula: C7H12O4 Molecular Weight (g/mol): 160.169 MDL Number: MFCD00009195 InChI Key: IYXGSMUGOJNHAZ-UHFFFAOYSA-N Synonym: diethyl malonate,malonic ester,propanedioic acid, diethyl ester,dicarbethoxymethane,malonic acid, diethyl ester,carbethoxyacetic ester,malonic acid diethyl ester,1,3-diethyl propanedioate,ethyl propanedioate,ethyl malonate van PubChem CID: 7761 IUPAC Name: diethyl propanedioate SMILES: CCOC(=O)CC(=O)OCC
| PubChem CID | 7761 |
|---|---|
| CAS | 105-53-3 |
| Molecular Weight (g/mol) | 160.169 |
| MDL Number | MFCD00009195 |
| SMILES | CCOC(=O)CC(=O)OCC |
| Synonym | diethyl malonate,malonic ester,propanedioic acid, diethyl ester,dicarbethoxymethane,malonic acid, diethyl ester,carbethoxyacetic ester,malonic acid diethyl ester,1,3-diethyl propanedioate,ethyl propanedioate,ethyl malonate van |
| IUPAC Name | diethyl propanedioate |
| InChI Key | IYXGSMUGOJNHAZ-UHFFFAOYSA-N |
| Molecular Formula | C7H12O4 |
Diethyl (2,4-dichlorophenyl)malonate, 95%
CAS: 111544-93-5 Molecular Formula: C13H14Cl2O4 Molecular Weight (g/mol): 305.15 MDL Number: MFCD00831103 InChI Key: FIGCCTUCURBNIF-UHFFFAOYSA-N Synonym: diethyl 2-2,4-dichlorophenyl malonate,diethyl 2,4-dichlorophenyl malonate,1,3-diethyl 2-2,4-dichlorophenyl propanedioate,diethyl 2-2,4-dichlorophenyl propanedioate,diethyl 2,4-dichlorophenyl propanedioate,diethyl 2,4-dichlorophenylmalonate,2-2,4-dichloro-phenyl-malonic acid diethyl ester,propanedioic acid,2-2,4-dichlorophenyl-,1,3-diethyl ester PubChem CID: 2736112 IUPAC Name: diethyl 2-(2,4-dichlorophenyl)propanedioate SMILES: CCOC(=O)C(C(=O)OCC)C1=CC=C(Cl)C=C1Cl
| PubChem CID | 2736112 |
|---|---|
| CAS | 111544-93-5 |
| Molecular Weight (g/mol) | 305.15 |
| MDL Number | MFCD00831103 |
| SMILES | CCOC(=O)C(C(=O)OCC)C1=CC=C(Cl)C=C1Cl |
| Synonym | diethyl 2-2,4-dichlorophenyl malonate,diethyl 2,4-dichlorophenyl malonate,1,3-diethyl 2-2,4-dichlorophenyl propanedioate,diethyl 2-2,4-dichlorophenyl propanedioate,diethyl 2,4-dichlorophenyl propanedioate,diethyl 2,4-dichlorophenylmalonate,2-2,4-dichloro-phenyl-malonic acid diethyl ester,propanedioic acid,2-2,4-dichlorophenyl-,1,3-diethyl ester |
| IUPAC Name | diethyl 2-(2,4-dichlorophenyl)propanedioate |
| InChI Key | FIGCCTUCURBNIF-UHFFFAOYSA-N |
| Molecular Formula | C13H14Cl2O4 |
4'-Hydroxy-2'-methylacetophenone, 97%, Thermo Scientific Chemicals
CAS: 875-59-2 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.18 MDL Number: MFCD00002303 InChI Key: IAMNVCJECQWBLZ-UHFFFAOYSA-N PubChem CID: 70133 ChEBI: CHEBI:87314 IUPAC Name: 1-(4-hydroxy-2-methylphenyl)ethanone SMILES: CC(=O)C1=CC=C(O)C=C1C
| PubChem CID | 70133 |
|---|---|
| CAS | 875-59-2 |
| Molecular Weight (g/mol) | 150.18 |
| ChEBI | CHEBI:87314 |
| MDL Number | MFCD00002303 |
| SMILES | CC(=O)C1=CC=C(O)C=C1C |
| IUPAC Name | 1-(4-hydroxy-2-methylphenyl)ethanone |
| InChI Key | IAMNVCJECQWBLZ-UHFFFAOYSA-N |
| Molecular Formula | C9H10O2 |
2-Acetyl-4-chlorothiophene, 98+%
CAS: 34730-20-6 Molecular Formula: C6H5ClOS Molecular Weight (g/mol): 160.62 MDL Number: MFCD00082791 InChI Key: FKESGQASARHBDC-UHFFFAOYSA-N PubChem CID: 11105655 IUPAC Name: 1-(4-chlorothiophen-2-yl)ethanone SMILES: CC(=O)C1=CC(Cl)=CS1
| PubChem CID | 11105655 |
|---|---|
| CAS | 34730-20-6 |
| Molecular Weight (g/mol) | 160.62 |
| MDL Number | MFCD00082791 |
| SMILES | CC(=O)C1=CC(Cl)=CS1 |
| IUPAC Name | 1-(4-chlorothiophen-2-yl)ethanone |
| InChI Key | FKESGQASARHBDC-UHFFFAOYSA-N |
| Molecular Formula | C6H5ClOS |
2-Acetylthiazole, 99%
CAS: 24295-03-2 Molecular Formula: C5H5NOS Molecular Weight (g/mol): 127.161 MDL Number: MFCD00005324 InChI Key: MOMFXATYAINJML-UHFFFAOYSA-N Synonym: 2-acetylthiazole,1-1,3-thiazol-2-yl ethan-1-one,ethanone, 1-2-thiazolyl,1-1,3-thiazol-2-yl ethanone,2-acetyl thiazole,1-2-thiazolyl ethanone,ketone, methyl 2-thiazolyl,2-acetylthiazol,2-acetyl-1,3-thiazole,1-thiazol-2-yl-ethanone PubChem CID: 520108 IUPAC Name: 1-(1,3-thiazol-2-yl)ethanone SMILES: CC(=O)C1=NC=CS1
| PubChem CID | 520108 |
|---|---|
| CAS | 24295-03-2 |
| Molecular Weight (g/mol) | 127.161 |
| MDL Number | MFCD00005324 |
| SMILES | CC(=O)C1=NC=CS1 |
| Synonym | 2-acetylthiazole,1-1,3-thiazol-2-yl ethan-1-one,ethanone, 1-2-thiazolyl,1-1,3-thiazol-2-yl ethanone,2-acetyl thiazole,1-2-thiazolyl ethanone,ketone, methyl 2-thiazolyl,2-acetylthiazol,2-acetyl-1,3-thiazole,1-thiazol-2-yl-ethanone |
| IUPAC Name | 1-(1,3-thiazol-2-yl)ethanone |
| InChI Key | MOMFXATYAINJML-UHFFFAOYSA-N |
| Molecular Formula | C5H5NOS |
| CAS | 4694-12-6 |
|---|---|
| MDL Number | MFCD00019313 |
4-(1,3-Dioxolan-2-yl)benzonitrile, 97%, Thermo Scientific™
CAS: 66739-89-7 Molecular Formula: C10H9NO2 Molecular Weight (g/mol): 175.19 MDL Number: MFCD00052570 InChI Key: AQXQCWAXQJVTKU-UHFFFAOYSA-N PubChem CID: 2778428 IUPAC Name: 4-(1,3-dioxolan-2-yl)benzonitrile SMILES: N#CC1=CC=C(C=C1)C1OCCO1
| PubChem CID | 2778428 |
|---|---|
| CAS | 66739-89-7 |
| Molecular Weight (g/mol) | 175.19 |
| MDL Number | MFCD00052570 |
| SMILES | N#CC1=CC=C(C=C1)C1OCCO1 |
| IUPAC Name | 4-(1,3-dioxolan-2-yl)benzonitrile |
| InChI Key | AQXQCWAXQJVTKU-UHFFFAOYSA-N |
| Molecular Formula | C10H9NO2 |
1-(2-Thenoyl)-3,3,3-trifluoroacetone, 99% (dry wt.) may cont. up to ca 2% water
CAS: 326-91-0 Molecular Formula: C8H5F3O2S Molecular Weight (g/mol): 222.18 MDL Number: MFCD00005445 InChI Key: TXBBUSUXYMIVOS-UHFFFAOYSA-N Synonym: 2-thenoyltrifluoroacetone,thenoyltrifluoroacetone,1,3-butanedione, 4,4,4-trifluoro-1-2-thienyl,4,4,4-trifluoro-1-thiophen-2-yl butane-1,3-dione,4,4,4-trifluoro-1-2-thienyl-1,3-butanedione,4,4,4-trifluoro-1-2-thienyl butane-1,3-dione,perfluoroacetyl 2-thenoyl methane,alpha-thenoyltrifluoroacetone,1-thenoyl-3,3,3-trifluoroacetone,.alpha.-thenoyltrifluoroacetone PubChem CID: 5601 IUPAC Name: 4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-dione SMILES: FC(F)(F)C(=O)CC(=O)C1=CC=CS1
| PubChem CID | 5601 |
|---|---|
| CAS | 326-91-0 |
| Molecular Weight (g/mol) | 222.18 |
| MDL Number | MFCD00005445 |
| SMILES | FC(F)(F)C(=O)CC(=O)C1=CC=CS1 |
| Synonym | 2-thenoyltrifluoroacetone,thenoyltrifluoroacetone,1,3-butanedione, 4,4,4-trifluoro-1-2-thienyl,4,4,4-trifluoro-1-thiophen-2-yl butane-1,3-dione,4,4,4-trifluoro-1-2-thienyl-1,3-butanedione,4,4,4-trifluoro-1-2-thienyl butane-1,3-dione,perfluoroacetyl 2-thenoyl methane,alpha-thenoyltrifluoroacetone,1-thenoyl-3,3,3-trifluoroacetone,.alpha.-thenoyltrifluoroacetone |
| IUPAC Name | 4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-dione |
| InChI Key | TXBBUSUXYMIVOS-UHFFFAOYSA-N |
| Molecular Formula | C8H5F3O2S |
2-Chloroethyl methyl ether, 98%
CAS: 627-42-9 Molecular Formula: C3H7ClO Molecular Weight (g/mol): 94.54 MDL Number: MFCD00000972 InChI Key: XTIGGAHUZJWQMD-UHFFFAOYSA-N Synonym: 2-chloroethyl methyl ether,2-methoxyethyl chloride,ethane, 1-chloro-2-methoxy,2-chloroethylmethylether,unii-u890tj10ym,chloro-2-methoxyethane,chloroethyl-methyl ether,1-chloro-2-methoxy-ethane,ether, 2-chloroethyl methyl PubChem CID: 12316 IUPAC Name: 1-chloro-2-methoxyethane SMILES: COCCCl
| PubChem CID | 12316 |
|---|---|
| CAS | 627-42-9 |
| Molecular Weight (g/mol) | 94.54 |
| MDL Number | MFCD00000972 |
| SMILES | COCCCl |
| Synonym | 2-chloroethyl methyl ether,2-methoxyethyl chloride,ethane, 1-chloro-2-methoxy,2-chloroethylmethylether,unii-u890tj10ym,chloro-2-methoxyethane,chloroethyl-methyl ether,1-chloro-2-methoxy-ethane,ether, 2-chloroethyl methyl |
| IUPAC Name | 1-chloro-2-methoxyethane |
| InChI Key | XTIGGAHUZJWQMD-UHFFFAOYSA-N |
| Molecular Formula | C3H7ClO |
2,6-Dimethylcyclohexanol, 99%, mixture of isomers
CAS: 5337-72-4 Molecular Formula: C8H16O Molecular Weight (g/mol): 128.21 MDL Number: MFCD00001502 InChI Key: MOISVRZIQDQVPF-UHFFFAOYSA-N Synonym: 2,6-dimethylcyclohexanol,cyclohexanol, 2,6-dimethyl,2,6-dimethylcyclohexyl alcohol,ambsclk-255,cyclohexanol,6-dimethyl,2,6-dimethyl-cyclohexanol,acmc-20ao81,2,6-dimethylcyclohexanol,c&t,2,6-dimethyl-cyclohexan-1-ol,2,6-dimethylcyclohexanol, mixture of isomers PubChem CID: 21428 IUPAC Name: 2,6-dimethylcyclohexan-1-ol SMILES: CC1CCCC(C1O)C
| PubChem CID | 21428 |
|---|---|
| CAS | 5337-72-4 |
| Molecular Weight (g/mol) | 128.21 |
| MDL Number | MFCD00001502 |
| SMILES | CC1CCCC(C1O)C |
| Synonym | 2,6-dimethylcyclohexanol,cyclohexanol, 2,6-dimethyl,2,6-dimethylcyclohexyl alcohol,ambsclk-255,cyclohexanol,6-dimethyl,2,6-dimethyl-cyclohexanol,acmc-20ao81,2,6-dimethylcyclohexanol,c&t,2,6-dimethyl-cyclohexan-1-ol,2,6-dimethylcyclohexanol, mixture of isomers |
| IUPAC Name | 2,6-dimethylcyclohexan-1-ol |
| InChI Key | MOISVRZIQDQVPF-UHFFFAOYSA-N |
| Molecular Formula | C8H16O |
Bromopyruvic acid, 97%
CAS: 1113-59-3 Molecular Formula: C3H3BrO3 Molecular Weight (g/mol): 166.958 MDL Number: MFCD00002587 InChI Key: PRRZDZJYSJLDBS-UHFFFAOYSA-N Synonym: 3-bromopyruvic acid,bromopyruvic acid,bromopyruvate,3-bromopyruvate,3-bromo-2-oxopropionic acid,bromopyruvicacid,pyruvic acid, bromo,propanoic acid, 3-bromo-2-oxo,unii-63jmv04grk,.beta.-bromopyruvic acid PubChem CID: 70684 IUPAC Name: 3-bromo-2-oxopropanoic acid SMILES: C(C(=O)C(=O)O)Br
| PubChem CID | 70684 |
|---|---|
| CAS | 1113-59-3 |
| Molecular Weight (g/mol) | 166.958 |
| MDL Number | MFCD00002587 |
| SMILES | C(C(=O)C(=O)O)Br |
| Synonym | 3-bromopyruvic acid,bromopyruvic acid,bromopyruvate,3-bromopyruvate,3-bromo-2-oxopropionic acid,bromopyruvicacid,pyruvic acid, bromo,propanoic acid, 3-bromo-2-oxo,unii-63jmv04grk,.beta.-bromopyruvic acid |
| IUPAC Name | 3-bromo-2-oxopropanoic acid |
| InChI Key | PRRZDZJYSJLDBS-UHFFFAOYSA-N |
| Molecular Formula | C3H3BrO3 |
(+/-)-2-Methyl-2,4-pentanediol, 98%
CAS: 107-41-5 Molecular Formula: C6H14O2 Molecular Weight (g/mol): 118.176 MDL Number: MFCD00004547 InChI Key: SVTBMSDMJJWYQN-UHFFFAOYSA-N Synonym: hexylene glycol,2-methyl-2,4-pentanediol,pinakon,2,4-dihydroxy-2-methylpentane,2,4-pentanediol, 2-methyl,diolane,isol,4-methyl-2,4-pentanediol,1,1,3-trimethyltrimethylenediol,2-methyl pentane-2,4-diol PubChem CID: 7870 ChEBI: CHEBI:62995 IUPAC Name: 2-methylpentane-2,4-diol SMILES: CC(CC(C)(C)O)O
| PubChem CID | 7870 |
|---|---|
| CAS | 107-41-5 |
| Molecular Weight (g/mol) | 118.176 |
| ChEBI | CHEBI:62995 |
| MDL Number | MFCD00004547 |
| SMILES | CC(CC(C)(C)O)O |
| Synonym | hexylene glycol,2-methyl-2,4-pentanediol,pinakon,2,4-dihydroxy-2-methylpentane,2,4-pentanediol, 2-methyl,diolane,isol,4-methyl-2,4-pentanediol,1,1,3-trimethyltrimethylenediol,2-methyl pentane-2,4-diol |
| IUPAC Name | 2-methylpentane-2,4-diol |
| InChI Key | SVTBMSDMJJWYQN-UHFFFAOYSA-N |
| Molecular Formula | C6H14O2 |