Organooxygen compounds
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Ethyl (4-Methoxybenzoyl)acetate 97.0+%, TCI America™
CAS: 2881-83-6 Molecular Formula: C12H14O4 Molecular Weight (g/mol): 222.24 MDL Number: MFCD00449636 InChI Key: KRAHENMBSVAAHD-UHFFFAOYSA-N Synonym: p-Anisoylacetic Acid Ethyl Ester, Ethyl p-Anisoylacetate, (4-Methoxybenzoyl)acetic Acid Ethyl Ester, Ethyl 3-(4-Methoxyphenyl)-3-oxopropionate, 3-(4-Methoxyphenyl)-3-oxopropionic Acid Ethyl Ester PubChem CID: 76150 IUPAC Name: ethyl 3-(4-methoxyphenyl)-3-oxopropanoate SMILES: CCOC(=O)CC(=O)C1=CC=C(C=C1)OC
| PubChem CID | 76150 |
|---|---|
| CAS | 2881-83-6 |
| Molecular Weight (g/mol) | 222.24 |
| MDL Number | MFCD00449636 |
| SMILES | CCOC(=O)CC(=O)C1=CC=C(C=C1)OC |
| Synonym | p-Anisoylacetic Acid Ethyl Ester, Ethyl p-Anisoylacetate, (4-Methoxybenzoyl)acetic Acid Ethyl Ester, Ethyl 3-(4-Methoxyphenyl)-3-oxopropionate, 3-(4-Methoxyphenyl)-3-oxopropionic Acid Ethyl Ester |
| IUPAC Name | ethyl 3-(4-methoxyphenyl)-3-oxopropanoate |
| InChI Key | KRAHENMBSVAAHD-UHFFFAOYSA-N |
| Molecular Formula | C12H14O4 |
Diethyl Allylmalonate 98.0+%, TCI America™
CAS: 2049-80-1 Molecular Formula: C10H16O4 Molecular Weight (g/mol): 200.234 MDL Number: MFCD00009155 InChI Key: GDWAYKGILJJNBB-UHFFFAOYSA-N Synonym: diethyl allylmalonate,ethyl allylmalonate,diethyl 2-allylmalonate,allylmalonic acid diethyl ester,diethyl prop-2-enylpropanedioate,diethyl 2-prop-2-enyl malonate,malonic acid, allyl-, diethyl ester,propanedioic acid, 2-propenyl-, diethyl ester,diethyl 2-2-propenyl-1,3-propanedioate,allyl malonic acid PubChem CID: 74900 IUPAC Name: diethyl 2-prop-2-enylpropanedioate SMILES: CCOC(=O)C(CC=C)C(=O)OCC
| PubChem CID | 74900 |
|---|---|
| CAS | 2049-80-1 |
| Molecular Weight (g/mol) | 200.234 |
| MDL Number | MFCD00009155 |
| SMILES | CCOC(=O)C(CC=C)C(=O)OCC |
| Synonym | diethyl allylmalonate,ethyl allylmalonate,diethyl 2-allylmalonate,allylmalonic acid diethyl ester,diethyl prop-2-enylpropanedioate,diethyl 2-prop-2-enyl malonate,malonic acid, allyl-, diethyl ester,propanedioic acid, 2-propenyl-, diethyl ester,diethyl 2-2-propenyl-1,3-propanedioate,allyl malonic acid |
| IUPAC Name | diethyl 2-prop-2-enylpropanedioate |
| InChI Key | GDWAYKGILJJNBB-UHFFFAOYSA-N |
| Molecular Formula | C10H16O4 |
Isopropyl Acetoacetate 97.0+%, TCI America™
CAS: 542-08-5 Molecular Formula: C7H12O3 Molecular Weight (g/mol): 144.17 MDL Number: MFCD00043933 InChI Key: GVIIRWAJDFKJMJ-UHFFFAOYSA-N Synonym: isopropyl acetoacetate,isopropyl 3-oxobutanoate,acetoacetic acid isopropyl ester,butanoic acid, 3-oxo-, 1-methylethyl ester,unii-38gtb2c6xc,38gtb2c6xc,methylethyl 3-oxobutanoate,acip,isopropyl acetylacetate,isopropyl 3-oxobutyrate PubChem CID: 68329 IUPAC Name: propan-2-yl 3-oxobutanoate SMILES: CC(C)OC(=O)CC(=O)C
| PubChem CID | 68329 |
|---|---|
| CAS | 542-08-5 |
| Molecular Weight (g/mol) | 144.17 |
| MDL Number | MFCD00043933 |
| SMILES | CC(C)OC(=O)CC(=O)C |
| Synonym | isopropyl acetoacetate,isopropyl 3-oxobutanoate,acetoacetic acid isopropyl ester,butanoic acid, 3-oxo-, 1-methylethyl ester,unii-38gtb2c6xc,38gtb2c6xc,methylethyl 3-oxobutanoate,acip,isopropyl acetylacetate,isopropyl 3-oxobutyrate |
| IUPAC Name | propan-2-yl 3-oxobutanoate |
| InChI Key | GVIIRWAJDFKJMJ-UHFFFAOYSA-N |
| Molecular Formula | C7H12O3 |
N-Benzylacetoacetamide 98.0+%, TCI America™
CAS: 882-36-0 Molecular Formula: C11H13NO2 Molecular Weight (g/mol): 191.23 MDL Number: MFCD00026260 InChI Key: KOHNUEXAOQRRPI-UHFFFAOYSA-N Synonym: N-Acetoacetylbenzylamine PubChem CID: 70159 IUPAC Name: N-benzyl-3-oxobutanamide SMILES: CC(=O)CC(=O)NCC1=CC=CC=C1
| PubChem CID | 70159 |
|---|---|
| CAS | 882-36-0 |
| Molecular Weight (g/mol) | 191.23 |
| MDL Number | MFCD00026260 |
| SMILES | CC(=O)CC(=O)NCC1=CC=CC=C1 |
| Synonym | N-Acetoacetylbenzylamine |
| IUPAC Name | N-benzyl-3-oxobutanamide |
| InChI Key | KOHNUEXAOQRRPI-UHFFFAOYSA-N |
| Molecular Formula | C11H13NO2 |
Dimethyl Methoxymalonate 95.0+%, TCI America™
CAS: 5018-30-4 Molecular Formula: C6H10O5 Molecular Weight (g/mol): 162.14 MDL Number: MFCD00009847 InChI Key: ORXJMBXYSGGCHG-UHFFFAOYSA-N Synonym: Methoxymalonic Acid Dimethyl Ester PubChem CID: 78718 IUPAC Name: 1,3-dimethyl 2-methoxypropanedioate SMILES: COC(C(=O)OC)C(=O)OC
| PubChem CID | 78718 |
|---|---|
| CAS | 5018-30-4 |
| Molecular Weight (g/mol) | 162.14 |
| MDL Number | MFCD00009847 |
| SMILES | COC(C(=O)OC)C(=O)OC |
| Synonym | Methoxymalonic Acid Dimethyl Ester |
| IUPAC Name | 1,3-dimethyl 2-methoxypropanedioate |
| InChI Key | ORXJMBXYSGGCHG-UHFFFAOYSA-N |
| Molecular Formula | C6H10O5 |
Ethyl Acetoacetate 98.0+%, TCI America™
CAS: 141-97-9 Molecular Formula: C6H10O3 Molecular Weight (g/mol): 130.143 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) | 130.143 |
| 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 |
Diethyl 3,3-Diethoxypropane-1,1-dicarboxylate 96.0+%, TCI America™
CAS: 21339-47-9 Molecular Formula: C13H24O6 Molecular Weight (g/mol): 276.329 MDL Number: MFCD00671525 InChI Key: VQUXMFKGQFXVBC-UHFFFAOYSA-N Synonym: 3,3-Diethoxypropane-1,1-dicarboxylic Acid Diethyl Ester PubChem CID: 298328 IUPAC Name: diethyl 2-(2,2-diethoxyethyl)propanedioate SMILES: CCOC(CC(C(=O)OCC)C(=O)OCC)OCC
| PubChem CID | 298328 |
|---|---|
| CAS | 21339-47-9 |
| Molecular Weight (g/mol) | 276.329 |
| MDL Number | MFCD00671525 |
| SMILES | CCOC(CC(C(=O)OCC)C(=O)OCC)OCC |
| Synonym | 3,3-Diethoxypropane-1,1-dicarboxylic Acid Diethyl Ester |
| IUPAC Name | diethyl 2-(2,2-diethoxyethyl)propanedioate |
| InChI Key | VQUXMFKGQFXVBC-UHFFFAOYSA-N |
| Molecular Formula | C13H24O6 |
Ethyl 4,4-Dimethyl-3-oxovalerate 98.0+%, TCI America™
CAS: 17094-34-7 Molecular Formula: C9H16O3 Molecular Weight (g/mol): 172.22 MDL Number: MFCD00042886 InChI Key: VUYNTIDSHCJIKF-UHFFFAOYSA-N Synonym: ethyl pivaloylacetate,ethyl 4,4,4-trimethylacetoacetate,ethyl 4,4-dimethyl-3-oxovalerate,4,4-dimethyl-3-oxovaleric acid ethyl ester,pivaloylacetic acid ethyl ester,ethyl 4,4-dimethyl-3-oxo-pentanoate,pentanoic acid, 4,4-dimethyl-3-oxo-, ethyl ester,4,4-dimethyl-3-oxo-pentanoic acid ethyl ester,ethylpivaloylacetate,pubchem19816 PubChem CID: 86950 IUPAC Name: ethyl 4,4-dimethyl-3-oxopentanoate SMILES: CCOC(=O)CC(=O)C(C)(C)C
| PubChem CID | 86950 |
|---|---|
| CAS | 17094-34-7 |
| Molecular Weight (g/mol) | 172.22 |
| MDL Number | MFCD00042886 |
| SMILES | CCOC(=O)CC(=O)C(C)(C)C |
| Synonym | ethyl pivaloylacetate,ethyl 4,4,4-trimethylacetoacetate,ethyl 4,4-dimethyl-3-oxovalerate,4,4-dimethyl-3-oxovaleric acid ethyl ester,pivaloylacetic acid ethyl ester,ethyl 4,4-dimethyl-3-oxo-pentanoate,pentanoic acid, 4,4-dimethyl-3-oxo-, ethyl ester,4,4-dimethyl-3-oxo-pentanoic acid ethyl ester,ethylpivaloylacetate,pubchem19816 |
| IUPAC Name | ethyl 4,4-dimethyl-3-oxopentanoate |
| InChI Key | VUYNTIDSHCJIKF-UHFFFAOYSA-N |
| Molecular Formula | C9H16O3 |
Ethyl 2-Butylacetoacetate 96.0+%, TCI America™
CAS: 1540-29-0 Molecular Formula: C10H18O3 Molecular Weight (g/mol): 186.251 MDL Number: MFCD00026888 InChI Key: ZTOQBHVLCJERBS-UHFFFAOYSA-N Synonym: ethyl 2-n-butylacetoacetate,ethyl 2-butylacetoacetate,hexanoic acid, 2-acetyl-, ethyl ester,ethyl .alpha.-butylacetoacetate,2-acetylhexanoic acid ethyl ester,ethyl butyl acetoacetate,ethyl 2-acetyl hexanoate,acmc-209da5,ethyl-2-n-butylacetoacetate,ksc494i1n PubChem CID: 95466 IUPAC Name: ethyl 2-acetylhexanoate SMILES: CCCCC(C(=O)C)C(=O)OCC
| PubChem CID | 95466 |
|---|---|
| CAS | 1540-29-0 |
| Molecular Weight (g/mol) | 186.251 |
| MDL Number | MFCD00026888 |
| SMILES | CCCCC(C(=O)C)C(=O)OCC |
| Synonym | ethyl 2-n-butylacetoacetate,ethyl 2-butylacetoacetate,hexanoic acid, 2-acetyl-, ethyl ester,ethyl .alpha.-butylacetoacetate,2-acetylhexanoic acid ethyl ester,ethyl butyl acetoacetate,ethyl 2-acetyl hexanoate,acmc-209da5,ethyl-2-n-butylacetoacetate,ksc494i1n |
| IUPAC Name | ethyl 2-acetylhexanoate |
| InChI Key | ZTOQBHVLCJERBS-UHFFFAOYSA-N |
| Molecular Formula | C10H18O3 |
Ethyl 2-Benzylacetoacetate 97.0+%, TCI America™
CAS: 620-79-1 Molecular Formula: C13H16O3 Molecular Weight (g/mol): 220.268 MDL Number: MFCD00009156 InChI Key: XDWQYMXQMNUWID-UHFFFAOYSA-N Synonym: ethyl 2-benzylacetoacetate,ethyl 2-acetyl-3-phenylpropionate,ethyl benzyl acetoacetate,ethyl alpha-benzylacetoacetate,2-benzylacetoacetic acid ethyl ester,ethyl .alpha.-benzylacetoacetate,2-benzylacetoacetate,ethyl 3-oxo-2-benzylbutanoate,ethyl alpha-acetylhydrocinnamate,ethyl benzylacetoacetate PubChem CID: 246929 IUPAC Name: ethyl 2-benzyl-3-oxobutanoate SMILES: CCOC(=O)C(CC1=CC=CC=C1)C(=O)C
| PubChem CID | 246929 |
|---|---|
| CAS | 620-79-1 |
| Molecular Weight (g/mol) | 220.268 |
| MDL Number | MFCD00009156 |
| SMILES | CCOC(=O)C(CC1=CC=CC=C1)C(=O)C |
| Synonym | ethyl 2-benzylacetoacetate,ethyl 2-acetyl-3-phenylpropionate,ethyl benzyl acetoacetate,ethyl alpha-benzylacetoacetate,2-benzylacetoacetic acid ethyl ester,ethyl .alpha.-benzylacetoacetate,2-benzylacetoacetate,ethyl 3-oxo-2-benzylbutanoate,ethyl alpha-acetylhydrocinnamate,ethyl benzylacetoacetate |
| IUPAC Name | ethyl 2-benzyl-3-oxobutanoate |
| InChI Key | XDWQYMXQMNUWID-UHFFFAOYSA-N |
| Molecular Formula | C13H16O3 |
Propyl Acetoacetate 98.0+%, TCI America™
CAS: 1779-60-8 Molecular Formula: C7H12O3 Molecular Weight (g/mol): 144.17 MDL Number: MFCD00059405 InChI Key: DHGFMVMDBNLMKT-UHFFFAOYSA-N Synonym: Acetoacetic Acid Propyl Ester PubChem CID: 74507 IUPAC Name: propyl 3-oxobutanoate SMILES: CCCOC(=O)CC(C)=O
| PubChem CID | 74507 |
|---|---|
| CAS | 1779-60-8 |
| Molecular Weight (g/mol) | 144.17 |
| MDL Number | MFCD00059405 |
| SMILES | CCCOC(=O)CC(C)=O |
| Synonym | Acetoacetic Acid Propyl Ester |
| IUPAC Name | propyl 3-oxobutanoate |
| InChI Key | DHGFMVMDBNLMKT-UHFFFAOYSA-N |
| Molecular Formula | C7H12O3 |
Diethyl Cyclopentylmalonate 95.0+%, TCI America™
CAS: 18928-91-1 Molecular Formula: C12H20O4 Molecular Weight (g/mol): 228.288 MDL Number: MFCD00059514 InChI Key: WXPOKLNJWFXXQO-UHFFFAOYSA-N Synonym: Cyclopentylmalonic Acid Diethyl Ester PubChem CID: 249269 IUPAC Name: diethyl 2-cyclopentylpropanedioate SMILES: CCOC(=O)C(C1CCCC1)C(=O)OCC
| PubChem CID | 249269 |
|---|---|
| CAS | 18928-91-1 |
| Molecular Weight (g/mol) | 228.288 |
| MDL Number | MFCD00059514 |
| SMILES | CCOC(=O)C(C1CCCC1)C(=O)OCC |
| Synonym | Cyclopentylmalonic Acid Diethyl Ester |
| IUPAC Name | diethyl 2-cyclopentylpropanedioate |
| InChI Key | WXPOKLNJWFXXQO-UHFFFAOYSA-N |
| Molecular Formula | C12H20O4 |
Ethylene Glycol Monoacetoacetate Monomethacrylate (stabilized with BHT) 95.0+%, TCI America™
CAS: 21282-97-3 Molecular Formula: C10H14O5 Molecular Weight (g/mol): 214.22 MDL Number: MFCD00054405 InChI Key: IBDVWXAVKPRHCU-UHFFFAOYSA-N Synonym: aaem,2-methacryloyloxy ethyl 3-oxobutanoate,2-methacryloyloxy ethyl acetoacetate,acetoacetoxyethyl methacrylate,unii-6l3ew3hzf2,6l3ew3hzf2,2-acetoacetyloxy ethyl methacrylate,hema acetoacetate,2-2-methylacryloyl oxy ethyl 3-oxobutanoate PubChem CID: 88855 IUPAC Name: 2-[(2-methylprop-2-enoyl)oxy]ethyl 3-oxobutanoate SMILES: CC(=O)CC(=O)OCCOC(=O)C(C)=C
| PubChem CID | 88855 |
|---|---|
| CAS | 21282-97-3 |
| Molecular Weight (g/mol) | 214.22 |
| MDL Number | MFCD00054405 |
| SMILES | CC(=O)CC(=O)OCCOC(=O)C(C)=C |
| Synonym | aaem,2-methacryloyloxy ethyl 3-oxobutanoate,2-methacryloyloxy ethyl acetoacetate,acetoacetoxyethyl methacrylate,unii-6l3ew3hzf2,6l3ew3hzf2,2-acetoacetyloxy ethyl methacrylate,hema acetoacetate,2-2-methylacryloyl oxy ethyl 3-oxobutanoate |
| IUPAC Name | 2-[(2-methylprop-2-enoyl)oxy]ethyl 3-oxobutanoate |
| InChI Key | IBDVWXAVKPRHCU-UHFFFAOYSA-N |
| Molecular Formula | C10H14O5 |
Ethyl 2-Ethylacetoacetate 97.0+%, TCI America™
CAS: 607-97-6 Molecular Formula: C8H14O3 Molecular Weight (g/mol): 158.197 MDL Number: MFCD00039898 InChI Key: OKANYBNORCUPKZ-UHFFFAOYSA-N Synonym: ethyl 2-ethylacetoacetate,ethyl 2-acetylbutyrate,butanoic acid, 2-ethyl-3-oxo-, ethyl ester,2-ethylacetoacetic acid ethyl ester,ethyl 2-ethyl-3-ketobutyrate,ethyl alpha-ethylacetoacetate,ethyl-2-ethylacetoacetate,2-ethyl-3-oxo-butyric acid ethyl ester,ethyl .alpha.-acetylbutyrate,ethyl 2-ethyl-3-oxo-butanoate PubChem CID: 79065 IUPAC Name: ethyl 2-ethyl-3-oxobutanoate SMILES: CCC(C(=O)C)C(=O)OCC
| PubChem CID | 79065 |
|---|---|
| CAS | 607-97-6 |
| Molecular Weight (g/mol) | 158.197 |
| MDL Number | MFCD00039898 |
| SMILES | CCC(C(=O)C)C(=O)OCC |
| Synonym | ethyl 2-ethylacetoacetate,ethyl 2-acetylbutyrate,butanoic acid, 2-ethyl-3-oxo-, ethyl ester,2-ethylacetoacetic acid ethyl ester,ethyl 2-ethyl-3-ketobutyrate,ethyl alpha-ethylacetoacetate,ethyl-2-ethylacetoacetate,2-ethyl-3-oxo-butyric acid ethyl ester,ethyl .alpha.-acetylbutyrate,ethyl 2-ethyl-3-oxo-butanoate |
| IUPAC Name | ethyl 2-ethyl-3-oxobutanoate |
| InChI Key | OKANYBNORCUPKZ-UHFFFAOYSA-N |
| Molecular Formula | C8H14O3 |
4-Nitrobenzyl Acetoacetate 98.0+%, TCI America™
CAS: 61312-84-3 Molecular Formula: C11H11NO5 Molecular Weight (g/mol): 237.211 MDL Number: MFCD00799237 InChI Key: KQPGVCMZXFBYMM-UHFFFAOYSA-N Synonym: Acetoacetic Acid 4-Nitrobenzyl Ester PubChem CID: 2760918 IUPAC Name: (4-nitrophenyl)methyl 3-oxobutanoate SMILES: CC(=O)CC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-]
| PubChem CID | 2760918 |
|---|---|
| CAS | 61312-84-3 |
| Molecular Weight (g/mol) | 237.211 |
| MDL Number | MFCD00799237 |
| SMILES | CC(=O)CC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-] |
| Synonym | Acetoacetic Acid 4-Nitrobenzyl Ester |
| IUPAC Name | (4-nitrophenyl)methyl 3-oxobutanoate |
| InChI Key | KQPGVCMZXFBYMM-UHFFFAOYSA-N |
| Molecular Formula | C11H11NO5 |