Organooxygen compounds
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2,2,4-Trimethyl-1,3-pentanediol 97.0+%, TCI America™
CAS: 144-19-4 Molecular Formula: C8H18O2 Molecular Weight (g/mol): 146.23 MDL Number: MFCD00004681 InChI Key: JCTXKRPTIMZBJT-UHFFFAOYNA-N Synonym: 2,2,4-trimethyl-1,3-pentanediol,tmpd,1,3-pentanediol, 2,2,4-trimethyl,tmpd alcohol,caswell no. 893,tmpd glycol,epa pesticide chemical code 041002,2,2,4-trimethyl pentanediol-1,3,trimethyl-1,3-pentanediol,acmc-1brgn PubChem CID: 8946 IUPAC Name: 2,2,4-trimethylpentane-1,3-diol SMILES: CC(C)C(O)C(C)(C)CO
| PubChem CID | 8946 |
|---|---|
| CAS | 144-19-4 |
| Molecular Weight (g/mol) | 146.23 |
| MDL Number | MFCD00004681 |
| SMILES | CC(C)C(O)C(C)(C)CO |
| Synonym | 2,2,4-trimethyl-1,3-pentanediol,tmpd,1,3-pentanediol, 2,2,4-trimethyl,tmpd alcohol,caswell no. 893,tmpd glycol,epa pesticide chemical code 041002,2,2,4-trimethyl pentanediol-1,3,trimethyl-1,3-pentanediol,acmc-1brgn |
| IUPAC Name | 2,2,4-trimethylpentane-1,3-diol |
| InChI Key | JCTXKRPTIMZBJT-UHFFFAOYNA-N |
| Molecular Formula | C8H18O2 |
Diethyl 2-Propynylmalonate 97.0+%, TCI America™
CAS: 17920-23-9 Molecular Formula: C10H14O4 Molecular Weight (g/mol): 198.218 MDL Number: MFCD00091967 InChI Key: FKXOELIKVUIBLP-UHFFFAOYSA-N Synonym: 2-Propynylmalonic Acid Diethyl Ester, Diethyl Propargylmalonate, Propargylmalonic Acid Diethyl Ester PubChem CID: 28835 IUPAC Name: diethyl 2-prop-2-ynylpropanedioate SMILES: CCOC(=O)C(CC#C)C(=O)OCC
| PubChem CID | 28835 |
|---|---|
| CAS | 17920-23-9 |
| Molecular Weight (g/mol) | 198.218 |
| MDL Number | MFCD00091967 |
| SMILES | CCOC(=O)C(CC#C)C(=O)OCC |
| Synonym | 2-Propynylmalonic Acid Diethyl Ester, Diethyl Propargylmalonate, Propargylmalonic Acid Diethyl Ester |
| IUPAC Name | diethyl 2-prop-2-ynylpropanedioate |
| InChI Key | FKXOELIKVUIBLP-UHFFFAOYSA-N |
| Molecular Formula | C10H14O4 |
Oxalacetic Acid 97.0+%, TCI America™
CAS: 328-42-7 Molecular Formula: C4H4O5 Molecular Weight (g/mol): 132.071 MDL Number: MFCD00002592 InChI Key: KHPXUQMNIQBQEV-UHFFFAOYSA-N Synonym: oxalacetic acid,oxaloacetic acid,2-oxosuccinic acid,oxaloacetate,ketosuccinic acid,oxosuccinic acid,2-ketosuccinic acid,butanedioic acid, oxo,oxobutanedioic acid,oxalacetate PubChem CID: 970 ChEBI: CHEBI:30744 IUPAC Name: 2-oxobutanedioic acid SMILES: C(C(=O)C(=O)O)C(=O)O
| PubChem CID | 970 |
|---|---|
| CAS | 328-42-7 |
| Molecular Weight (g/mol) | 132.071 |
| ChEBI | CHEBI:30744 |
| MDL Number | MFCD00002592 |
| SMILES | C(C(=O)C(=O)O)C(=O)O |
| Synonym | oxalacetic acid,oxaloacetic acid,2-oxosuccinic acid,oxaloacetate,ketosuccinic acid,oxosuccinic acid,2-ketosuccinic acid,butanedioic acid, oxo,oxobutanedioic acid,oxalacetate |
| IUPAC Name | 2-oxobutanedioic acid |
| InChI Key | KHPXUQMNIQBQEV-UHFFFAOYSA-N |
| Molecular Formula | C4H4O5 |
2-(m-Tolyl)ethanol 98.0+%, TCI America™
CAS: 1875-89-4 Molecular Formula: C9H12O Molecular Weight (g/mol): 136.194 MDL Number: MFCD00002896 InChI Key: KWHVBVJDKLSOTB-UHFFFAOYSA-N Synonym: 3-Methylphenethyl Alcohol, 2-(3-Methylphenyl)ethyl Alcohol, 2-(3-Methylphenyl)ethanol PubChem CID: 74648 IUPAC Name: 2-(3-methylphenyl)ethanol SMILES: CC1=CC(=CC=C1)CCO
| PubChem CID | 74648 |
|---|---|
| CAS | 1875-89-4 |
| Molecular Weight (g/mol) | 136.194 |
| MDL Number | MFCD00002896 |
| SMILES | CC1=CC(=CC=C1)CCO |
| Synonym | 3-Methylphenethyl Alcohol, 2-(3-Methylphenyl)ethyl Alcohol, 2-(3-Methylphenyl)ethanol |
| IUPAC Name | 2-(3-methylphenyl)ethanol |
| InChI Key | KWHVBVJDKLSOTB-UHFFFAOYSA-N |
| Molecular Formula | C9H12O |
2,2,4,4-Tetramethyl-1,3-cyclobutanediol (mixture of isomers) 98.0+%, TCI America™
CAS: 3010-96-6 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.214 MDL Number: MFCD00001329 InChI Key: FQXGHZNSUOHCLO-UHFFFAOYSA-N Synonym: 2,2,4,4-tetramethyl-1,3-cyclobutanediol,1,3-cyclobutanediol, 2,2,4,4-tetramethyl,tetramethyl-1,3-cyclobutanediol,1,1,3,3-tetramethylcyclobutanediol,unii-v7wk40i307,cis-2,2,4,4-tetramethyl-1,3-cyclobutanediol,2,2,4,4-tetramethylcyclobutane-1,3-diol, mixed isomers,2,2,4,4-tetramethyl-1,3-cyclobutanediol, mixture of isomers,2,2,4,4-tetramethylcyclobutane-1,3-diol, cis,acmc-209hd8 PubChem CID: 76382 IUPAC Name: 2,2,4,4-tetramethylcyclobutane-1,3-diol SMILES: CC1(C(C(C1O)(C)C)O)C
| PubChem CID | 76382 |
|---|---|
| CAS | 3010-96-6 |
| Molecular Weight (g/mol) | 144.214 |
| MDL Number | MFCD00001329 |
| SMILES | CC1(C(C(C1O)(C)C)O)C |
| Synonym | 2,2,4,4-tetramethyl-1,3-cyclobutanediol,1,3-cyclobutanediol, 2,2,4,4-tetramethyl,tetramethyl-1,3-cyclobutanediol,1,1,3,3-tetramethylcyclobutanediol,unii-v7wk40i307,cis-2,2,4,4-tetramethyl-1,3-cyclobutanediol,2,2,4,4-tetramethylcyclobutane-1,3-diol, mixed isomers,2,2,4,4-tetramethyl-1,3-cyclobutanediol, mixture of isomers,2,2,4,4-tetramethylcyclobutane-1,3-diol, cis,acmc-209hd8 |
| IUPAC Name | 2,2,4,4-tetramethylcyclobutane-1,3-diol |
| InChI Key | FQXGHZNSUOHCLO-UHFFFAOYSA-N |
| Molecular Formula | C8H16O2 |
1-Amino-4-hydroxyanthraquinone 98.0+%, TCI America™
CAS: 116-85-8 Molecular Formula: C14H9NO3 Molecular Weight (g/mol): 239.23 MDL Number: MFCD00001223 InChI Key: AQXYVFBSOOBBQV-UHFFFAOYSA-N Synonym: 1-amino-4-hydroxyanthraquinone,disperse red 15,calcosyn pink b,celutate pink b,nacelan pink b,amacel pink b,celutate pink bn,celutate pink by,cibacete red 3b,disperse red 2s PubChem CID: 8323 IUPAC Name: 1-amino-4-hydroxyanthracene-9,10-dione SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)O)N
| PubChem CID | 8323 |
|---|---|
| CAS | 116-85-8 |
| Molecular Weight (g/mol) | 239.23 |
| MDL Number | MFCD00001223 |
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)O)N |
| Synonym | 1-amino-4-hydroxyanthraquinone,disperse red 15,calcosyn pink b,celutate pink b,nacelan pink b,amacel pink b,celutate pink bn,celutate pink by,cibacete red 3b,disperse red 2s |
| IUPAC Name | 1-amino-4-hydroxyanthracene-9,10-dione |
| InChI Key | AQXYVFBSOOBBQV-UHFFFAOYSA-N |
| Molecular Formula | C14H9NO3 |
7-Methoxy-1-naphthaleneacetic Acid 98.0+%, TCI America™
CAS: 6836-22-2 Molecular Formula: C13H12O3 Molecular Weight (g/mol): 216.236 MDL Number: MFCD12756806 InChI Key: GJPYHKXILUFWKV-UHFFFAOYSA-N Synonym: (7-Methoxy-1-naphthyl)acetic Acid PubChem CID: 13570105 IUPAC Name: 2-(7-methoxynaphthalen-1-yl)acetic acid SMILES: COC1=CC2=C(C=CC=C2CC(=O)O)C=C1
| PubChem CID | 13570105 |
|---|---|
| CAS | 6836-22-2 |
| Molecular Weight (g/mol) | 216.236 |
| MDL Number | MFCD12756806 |
| SMILES | COC1=CC2=C(C=CC=C2CC(=O)O)C=C1 |
| Synonym | (7-Methoxy-1-naphthyl)acetic Acid |
| IUPAC Name | 2-(7-methoxynaphthalen-1-yl)acetic acid |
| InChI Key | GJPYHKXILUFWKV-UHFFFAOYSA-N |
| Molecular Formula | C13H12O3 |
3-Buten-1-ol 98.0+%, TCI America™
CAS: 627-27-0 Molecular Formula: C4H8O Molecular Weight (g/mol): 72.107 MDL Number: MFCD00002959 InChI Key: ZSPTYLOMNJNZNG-UHFFFAOYSA-N Synonym: 3-buten-1-ol,allylcarbinol,3-butenyl alcohol,1-buten-4-ol,vinylethyl alcohol,3-butene-1-ol,ch2=chch2ch2oh,homoallyl alcohol,unii-3db2krm1i9,1-hydroxy-3-butene PubChem CID: 69389 IUPAC Name: but-3-en-1-ol SMILES: C=CCCO
| PubChem CID | 69389 |
|---|---|
| CAS | 627-27-0 |
| Molecular Weight (g/mol) | 72.107 |
| MDL Number | MFCD00002959 |
| SMILES | C=CCCO |
| Synonym | 3-buten-1-ol,allylcarbinol,3-butenyl alcohol,1-buten-4-ol,vinylethyl alcohol,3-butene-1-ol,ch2=chch2ch2oh,homoallyl alcohol,unii-3db2krm1i9,1-hydroxy-3-butene |
| IUPAC Name | but-3-en-1-ol |
| InChI Key | ZSPTYLOMNJNZNG-UHFFFAOYSA-N |
| Molecular Formula | C4H8O |
4-(4-Methylphenyl)-4-oxobutyric Acid 98.0+%, TCI America™
CAS: 4619-20-9 Molecular Formula: C11H12O3 Molecular Weight (g/mol): 192.214 MDL Number: MFCD00020541 InChI Key: OEEUWZITKKSXAZ-UHFFFAOYSA-N Synonym: 3-4-methylbenzoyl propionic acid,4-oxo-4-p-tolyl butanoic acid,4-4-methylphenyl-4-oxobutanoic acid,4-4-methylphenyl-4-oxobutyric acid,4-oxo-4-4-tolyl butyric acid,4-oxo-4-p-tolylbutyric acid,4-oxo-4-p-tolylbutanoic acid,3-4-methylbenzoyl-propionic acid,acmc-1aooh,benzenebutanoic acid, 4-methyl-gamma-oxo PubChem CID: 244162 IUPAC Name: 4-(4-methylphenyl)-4-oxobutanoic acid SMILES: CC1=CC=C(C=C1)C(=O)CCC(=O)O
| PubChem CID | 244162 |
|---|---|
| CAS | 4619-20-9 |
| Molecular Weight (g/mol) | 192.214 |
| MDL Number | MFCD00020541 |
| SMILES | CC1=CC=C(C=C1)C(=O)CCC(=O)O |
| Synonym | 3-4-methylbenzoyl propionic acid,4-oxo-4-p-tolyl butanoic acid,4-4-methylphenyl-4-oxobutanoic acid,4-4-methylphenyl-4-oxobutyric acid,4-oxo-4-4-tolyl butyric acid,4-oxo-4-p-tolylbutyric acid,4-oxo-4-p-tolylbutanoic acid,3-4-methylbenzoyl-propionic acid,acmc-1aooh,benzenebutanoic acid, 4-methyl-gamma-oxo |
| IUPAC Name | 4-(4-methylphenyl)-4-oxobutanoic acid |
| InChI Key | OEEUWZITKKSXAZ-UHFFFAOYSA-N |
| Molecular Formula | C11H12O3 |
L-Kynurenine Hydrate 98.0+%, TCI America™
CAS: 2922-83-0 Molecular Formula: C10H12N2O3 Molecular Weight (g/mol): 208.22 MDL Number: MFCD00069912 InChI Key: YGPSJZOEDVAXAB-QMMMGPOBSA-N Synonym: l-kynurenine,s-2-amino-4-2-aminophenyl-4-oxobutanoic acid,kynurenine, l,3-anthraniloyl-l-alanine,unii-02jw4j5r44,ccris 4425,2s-2-amino-4-2-aminophenyl-4-oxobutanoic acid,quinurenine,kynurenin,s-alpha,2-diamino-gamma-oxobenzenebutanoic acid PubChem CID: 161166 ChEBI: CHEBI:16946 IUPAC Name: (2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid SMILES: N[C@@H](CC(=O)C1=CC=CC=C1N)C(O)=O
| PubChem CID | 161166 |
|---|---|
| CAS | 2922-83-0 |
| Molecular Weight (g/mol) | 208.22 |
| ChEBI | CHEBI:16946 |
| MDL Number | MFCD00069912 |
| SMILES | N[C@@H](CC(=O)C1=CC=CC=C1N)C(O)=O |
| Synonym | l-kynurenine,s-2-amino-4-2-aminophenyl-4-oxobutanoic acid,kynurenine, l,3-anthraniloyl-l-alanine,unii-02jw4j5r44,ccris 4425,2s-2-amino-4-2-aminophenyl-4-oxobutanoic acid,quinurenine,kynurenin,s-alpha,2-diamino-gamma-oxobenzenebutanoic acid |
| IUPAC Name | (2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid |
| InChI Key | YGPSJZOEDVAXAB-QMMMGPOBSA-N |
| Molecular Formula | C10H12N2O3 |
4-Methyl-3-penten-2-one (contains 4-Methyl-4-penten-2-one) 85.0+%, TCI America™
CAS: 141-79-7 Molecular Formula: C6H10O Molecular Weight (g/mol): 98.145 MDL Number: MFCD00008900 InChI Key: SHOJXDKTYKFBRD-UHFFFAOYSA-N Synonym: mesityl oxide,4-methyl-3-penten-2-one,3-penten-2-one, 4-methyl,isopropylideneacetone,isobutenyl methyl ketone,methyl isobutenyl ketone,mesityloxid,mesityloxyde,3-isohexen-2-one,isopropylidene acetone PubChem CID: 8858 IUPAC Name: 4-methylpent-3-en-2-one SMILES: CC(=CC(=O)C)C
| PubChem CID | 8858 |
|---|---|
| CAS | 141-79-7 |
| Molecular Weight (g/mol) | 98.145 |
| MDL Number | MFCD00008900 |
| SMILES | CC(=CC(=O)C)C |
| Synonym | mesityl oxide,4-methyl-3-penten-2-one,3-penten-2-one, 4-methyl,isopropylideneacetone,isobutenyl methyl ketone,methyl isobutenyl ketone,mesityloxid,mesityloxyde,3-isohexen-2-one,isopropylidene acetone |
| IUPAC Name | 4-methylpent-3-en-2-one |
| InChI Key | SHOJXDKTYKFBRD-UHFFFAOYSA-N |
| Molecular Formula | C6H10O |
2-Acetyl-5-methylfuran 98.0+%, TCI America™
CAS: 1193-79-9 Molecular Formula: C7H8O2 Molecular Weight (g/mol): 124.139 MDL Number: MFCD00003243 InChI Key: KEFJLCGVTHRGAH-UHFFFAOYSA-N Synonym: 2-acetyl-5-methylfuran,5-methyl-2-acetylfuran,1-5-methylfuran-2-yl ethanone,1-5-methyl-2-furyl ethanone,5-methyl-2-furylmethylketone,ethanone, 1-5-methyl-2-furanyl,1-5-methyl-2-furanyl ethanone,2-methyl-5-acetylfuran,1-5-methyl-2-furyl ethan-1-one,methyl 5-methyl-2-furyl ketone PubChem CID: 14514 ChEBI: CHEBI:562752 IUPAC Name: 1-(5-methylfuran-2-yl)ethanone SMILES: CC1=CC=C(O1)C(=O)C
| PubChem CID | 14514 |
|---|---|
| CAS | 1193-79-9 |
| Molecular Weight (g/mol) | 124.139 |
| ChEBI | CHEBI:562752 |
| MDL Number | MFCD00003243 |
| SMILES | CC1=CC=C(O1)C(=O)C |
| Synonym | 2-acetyl-5-methylfuran,5-methyl-2-acetylfuran,1-5-methylfuran-2-yl ethanone,1-5-methyl-2-furyl ethanone,5-methyl-2-furylmethylketone,ethanone, 1-5-methyl-2-furanyl,1-5-methyl-2-furanyl ethanone,2-methyl-5-acetylfuran,1-5-methyl-2-furyl ethan-1-one,methyl 5-methyl-2-furyl ketone |
| IUPAC Name | 1-(5-methylfuran-2-yl)ethanone |
| InChI Key | KEFJLCGVTHRGAH-UHFFFAOYSA-N |
| Molecular Formula | C7H8O2 |
2-Methoxy-5-methylpyridine 98.0+%, TCI America™
CAS: 13472-56-5 Molecular Formula: C7H9NO Molecular Weight (g/mol): 123.155 MDL Number: MFCD08703669 InChI Key: NFQGQMBFMIIIOR-UHFFFAOYSA-N Synonym: 6-Methoxy-3-picoline PubChem CID: 3014746 IUPAC Name: 2-methoxy-5-methylpyridine SMILES: CC1=CN=C(C=C1)OC
| PubChem CID | 3014746 |
|---|---|
| CAS | 13472-56-5 |
| Molecular Weight (g/mol) | 123.155 |
| MDL Number | MFCD08703669 |
| SMILES | CC1=CN=C(C=C1)OC |
| Synonym | 6-Methoxy-3-picoline |
| IUPAC Name | 2-methoxy-5-methylpyridine |
| InChI Key | NFQGQMBFMIIIOR-UHFFFAOYSA-N |
| Molecular Formula | C7H9NO |
Chloramphenicol 98.0+%, TCI America™
CAS: 56-75-7 Molecular Formula: C11H12Cl2N2O5 Molecular Weight (g/mol): 323.126 MDL Number: MFCD00078159 InChI Key: WIIZWVCIJKGZOK-RKDXNWHRSA-N Synonym: chloramphenicol,chlornitromycin,chloromycetin,levomycetin,chlorocid,halomycetin,levomicetina,alficetyn,fenicol,globenicol PubChem CID: 5959 ChEBI: CHEBI:17698 IUPAC Name: 2,2-dichloro-N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide SMILES: C1=CC(=CC=C1C(C(CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-]
| PubChem CID | 5959 |
|---|---|
| CAS | 56-75-7 |
| Molecular Weight (g/mol) | 323.126 |
| ChEBI | CHEBI:17698 |
| MDL Number | MFCD00078159 |
| SMILES | C1=CC(=CC=C1C(C(CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-] |
| Synonym | chloramphenicol,chlornitromycin,chloromycetin,levomycetin,chlorocid,halomycetin,levomicetina,alficetyn,fenicol,globenicol |
| IUPAC Name | 2,2-dichloro-N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide |
| InChI Key | WIIZWVCIJKGZOK-RKDXNWHRSA-N |
| Molecular Formula | C11H12Cl2N2O5 |
Benzo[b]thiophene-3-carboxaldehyde 98.0+%, TCI America™
CAS: 5381-20-4 Molecular Formula: C9H6OS Molecular Weight (g/mol): 162.21 MDL Number: MFCD00052376 InChI Key: WDJLPQCBTBZTRH-UHFFFAOYSA-N Synonym: benzo b thiophene-3-carbaldehyde,benzo b thiophene-3-carboxaldehyde,thianaphthene-3-carboxaldehyde,3-formylbenzo b thiophene,benzothiophene-3-carbaldehyde,1-benzothiophen-3-carbaldehyd,pubchem13543,acmc-1apd4,thianapthene-3-carboxaldehyde,ksc274c6b PubChem CID: 227328 IUPAC Name: 1-benzothiophene-3-carbaldehyde SMILES: O=CC1=CSC2=CC=CC=C12
| PubChem CID | 227328 |
|---|---|
| CAS | 5381-20-4 |
| Molecular Weight (g/mol) | 162.21 |
| MDL Number | MFCD00052376 |
| SMILES | O=CC1=CSC2=CC=CC=C12 |
| Synonym | benzo b thiophene-3-carbaldehyde,benzo b thiophene-3-carboxaldehyde,thianaphthene-3-carboxaldehyde,3-formylbenzo b thiophene,benzothiophene-3-carbaldehyde,1-benzothiophen-3-carbaldehyd,pubchem13543,acmc-1apd4,thianapthene-3-carboxaldehyde,ksc274c6b |
| IUPAC Name | 1-benzothiophene-3-carbaldehyde |
| InChI Key | WDJLPQCBTBZTRH-UHFFFAOYSA-N |
| Molecular Formula | C9H6OS |