Organic acids and derivatives
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Ethyl 4-bromocrotonate, tech. 80%
CAS: 37746-78-4 Molecular Formula: C6H9BrO2 Molecular Weight (g/mol): 193.04 MDL Number: MFCD00000247 InChI Key: FHGRPBSDPBRTLS-ONEGZZNKSA-N Synonym: ethyl 4-bromocrotonate,e-ethyl 4-bromobut-2-enoate,ethyl 4-bromobut-2-enoate,4-bromocrotonic acid ethyl ester,ethyl 2e-4-bromobut-2-enoate,2-butenoic acid, 4-bromo-, ethyl ester, e,2-butenoic acid, 4-bromo-, ethyl ester,ethyl e-4-bromo-2-butenoate,ethyl e-4-bromobut-2-enoate,ethyl trans-4-bromo-2-butenoate PubChem CID: 5373944 IUPAC Name: ethyl (E)-4-bromobut-2-enoate SMILES: CCOC(=O)C=CCBr
| PubChem CID | 5373944 |
|---|---|
| CAS | 37746-78-4 |
| Molecular Weight (g/mol) | 193.04 |
| MDL Number | MFCD00000247 |
| SMILES | CCOC(=O)C=CCBr |
| Synonym | ethyl 4-bromocrotonate,e-ethyl 4-bromobut-2-enoate,ethyl 4-bromobut-2-enoate,4-bromocrotonic acid ethyl ester,ethyl 2e-4-bromobut-2-enoate,2-butenoic acid, 4-bromo-, ethyl ester, e,2-butenoic acid, 4-bromo-, ethyl ester,ethyl e-4-bromo-2-butenoate,ethyl e-4-bromobut-2-enoate,ethyl trans-4-bromo-2-butenoate |
| IUPAC Name | ethyl (E)-4-bromobut-2-enoate |
| InChI Key | FHGRPBSDPBRTLS-ONEGZZNKSA-N |
| Molecular Formula | C6H9BrO2 |
Methyl m-toluate, 98%
CAS: 99-36-5 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.177 MDL Number: MFCD00008436 InChI Key: CPXCDEMFNPKOEF-UHFFFAOYSA-N Synonym: methyl m-toluate,methyl 3-toluate,benzoic acid, 3-methyl-, methyl ester,methyl m-methylbenzoate,meta-toluic acid, methyl ester,3-methylbenzoic acid methyl ester,methyl-m-methyl benzoate,m-toluic acid, methyl ester,methyl3-methylbenzoate,m-toluic acid methyl ester PubChem CID: 7435 IUPAC Name: methyl 3-methylbenzoate SMILES: CC1=CC=CC(=C1)C(=O)OC
| PubChem CID | 7435 |
|---|---|
| CAS | 99-36-5 |
| Molecular Weight (g/mol) | 150.177 |
| MDL Number | MFCD00008436 |
| SMILES | CC1=CC=CC(=C1)C(=O)OC |
| Synonym | methyl m-toluate,methyl 3-toluate,benzoic acid, 3-methyl-, methyl ester,methyl m-methylbenzoate,meta-toluic acid, methyl ester,3-methylbenzoic acid methyl ester,methyl-m-methyl benzoate,m-toluic acid, methyl ester,methyl3-methylbenzoate,m-toluic acid methyl ester |
| IUPAC Name | methyl 3-methylbenzoate |
| InChI Key | CPXCDEMFNPKOEF-UHFFFAOYSA-N |
| Molecular Formula | C9H10O2 |
Methyl pyruvate, 98%
CAS: 600-22-6 Molecular Formula: C4H6O3 Molecular Weight (g/mol): 102.089 MDL Number: MFCD00008754 InChI Key: CWKLZLBVOJRSOM-UHFFFAOYSA-N Synonym: methyl pyruvate,pyruvic acid, methyl ester,pyruvic acid methyl ester,methyl 2-oxopropionate,propanoic acid, 2-oxo-, methyl ester,methyl-pyruvate,methylglyoxylic acid methyl ester,unii-3kjm65g5xl,3kjm65g5xl,2-oxo-propionic acid methyl ester PubChem CID: 11748 ChEBI: CHEBI:51850 IUPAC Name: methyl 2-oxopropanoate SMILES: CC(=O)C(=O)OC
| PubChem CID | 11748 |
|---|---|
| CAS | 600-22-6 |
| Molecular Weight (g/mol) | 102.089 |
| ChEBI | CHEBI:51850 |
| MDL Number | MFCD00008754 |
| SMILES | CC(=O)C(=O)OC |
| Synonym | methyl pyruvate,pyruvic acid, methyl ester,pyruvic acid methyl ester,methyl 2-oxopropionate,propanoic acid, 2-oxo-, methyl ester,methyl-pyruvate,methylglyoxylic acid methyl ester,unii-3kjm65g5xl,3kjm65g5xl,2-oxo-propionic acid methyl ester |
| IUPAC Name | methyl 2-oxopropanoate |
| InChI Key | CWKLZLBVOJRSOM-UHFFFAOYSA-N |
| Molecular Formula | C4H6O3 |
Methyl 4-(methylsulfonylmethyl)benzoate, 98%
CAS: 160446-22-0 Molecular Formula: C10H12O4S Molecular Weight (g/mol): 228.262 MDL Number: MFCD00051693 InChI Key: XCKJFFWCTKJUKD-UHFFFAOYSA-N Synonym: methyl 4-methylsulfonylmethyl benzoate,methyl 4-methanesulfonylmethyl benzoate,methyl 4-methylsulfonyl methyl benzoate,benzoic acid, 4-methylsulfonyl methyl-, methyl ester,acmc-20akgt,maybridge1_002811,methyl 4-methanesulphonylmethyl benzoate PubChem CID: 2804364 IUPAC Name: methyl 4-(methylsulfonylmethyl)benzoate SMILES: COC(=O)C1=CC=C(C=C1)CS(=O)(=O)C
| PubChem CID | 2804364 |
|---|---|
| CAS | 160446-22-0 |
| Molecular Weight (g/mol) | 228.262 |
| MDL Number | MFCD00051693 |
| SMILES | COC(=O)C1=CC=C(C=C1)CS(=O)(=O)C |
| Synonym | methyl 4-methylsulfonylmethyl benzoate,methyl 4-methanesulfonylmethyl benzoate,methyl 4-methylsulfonyl methyl benzoate,benzoic acid, 4-methylsulfonyl methyl-, methyl ester,acmc-20akgt,maybridge1_002811,methyl 4-methanesulphonylmethyl benzoate |
| IUPAC Name | methyl 4-(methylsulfonylmethyl)benzoate |
| InChI Key | XCKJFFWCTKJUKD-UHFFFAOYSA-N |
| Molecular Formula | C10H12O4S |
5,6-Dihydro-2H-pyran-2-one, 90%
CAS: 3393-45-1 Molecular Formula: C5H6O2 Molecular Weight (g/mol): 98.10 MDL Number: MFCD00010439 InChI Key: VREFDQNWPNDZEX-UHFFFAOYSA-N Synonym: 5,6-dihydro-2h-pyran-2-one,2h-pyran-2-one, 5,6-dihydro,5,6-dihydropyran-2-one,5,6-dihydro-pyran-2-one,chembl55078,5,6-dihydro-2-pyranone,acmc-1ck70,2-pentenoic acid, 5-hydroxy-, .delta.-lactone,5,6-dihydro-2h-pyran-2-one, technical grade PubChem CID: 520660 IUPAC Name: 2,3-dihydropyran-6-one SMILES: O=C1CC=CCO1
| PubChem CID | 520660 |
|---|---|
| CAS | 3393-45-1 |
| Molecular Weight (g/mol) | 98.10 |
| MDL Number | MFCD00010439 |
| SMILES | O=C1CC=CCO1 |
| Synonym | 5,6-dihydro-2h-pyran-2-one,2h-pyran-2-one, 5,6-dihydro,5,6-dihydropyran-2-one,5,6-dihydro-pyran-2-one,chembl55078,5,6-dihydro-2-pyranone,acmc-1ck70,2-pentenoic acid, 5-hydroxy-, .delta.-lactone,5,6-dihydro-2h-pyran-2-one, technical grade |
| IUPAC Name | 2,3-dihydropyran-6-one |
| InChI Key | VREFDQNWPNDZEX-UHFFFAOYSA-N |
| Molecular Formula | C5H6O2 |
Methyl 3-(4-hydroxyphenyl)propionate, 98%
CAS: 5597-50-2 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.2 MDL Number: MFCD00071577 InChI Key: XRAMJHXWXCMGJM-UHFFFAOYSA-N Synonym: methyl 3-4-hydroxyphenyl propionate,methyl 3-4-hydroxyphenyl propanoate,benzenepropanoic acid, 4-hydroxy-, methyl ester,unii-wat13au7xb,methyl3-4-hydroxyphenyl propionate,wat13au7xb,hydrocinnamic acid, p-hydroxy-, methyl ester,3-4-hydroxyphenyl propionic acid methyl ester,methyl 3-p-hydroxyphenyl propionate,3-4'-hydroxyphenyl-propionic acid-ome PubChem CID: 79706 IUPAC Name: methyl 3-(4-hydroxyphenyl)propanoate SMILES: COC(=O)CCC1=CC=C(C=C1)O
| PubChem CID | 79706 |
|---|---|
| CAS | 5597-50-2 |
| Molecular Weight (g/mol) | 180.2 |
| MDL Number | MFCD00071577 |
| SMILES | COC(=O)CCC1=CC=C(C=C1)O |
| Synonym | methyl 3-4-hydroxyphenyl propionate,methyl 3-4-hydroxyphenyl propanoate,benzenepropanoic acid, 4-hydroxy-, methyl ester,unii-wat13au7xb,methyl3-4-hydroxyphenyl propionate,wat13au7xb,hydrocinnamic acid, p-hydroxy-, methyl ester,3-4-hydroxyphenyl propionic acid methyl ester,methyl 3-p-hydroxyphenyl propionate,3-4'-hydroxyphenyl-propionic acid-ome |
| IUPAC Name | methyl 3-(4-hydroxyphenyl)propanoate |
| InChI Key | XRAMJHXWXCMGJM-UHFFFAOYSA-N |
| Molecular Formula | C10H12O3 |
Methyl DL-lactate, 99%
CAS: 547-64-8 MDL Number: MFCD00066367 InChI Key: LPEKGGXMPWTOCB-UHFFFAOYSA-N Synonym: methyl lactate,dl-methyl lactate,methyl dl-lactate,lactic acid methyl ester,methyl 2-hydroxypropionate,lactic acid, methyl ester,+--methyl lactate,propanoic acid, 2-hydroxy-, methyl ester,methyl alpha-hydroxypropionate,methyl-lactate PubChem CID: 11040 ChEBI: CHEBI:83221 IUPAC Name: methyl 2-hydroxypropanoate SMILES: CC(C(=O)OC)O
| PubChem CID | 11040 |
|---|---|
| CAS | 547-64-8 |
| ChEBI | CHEBI:83221 |
| MDL Number | MFCD00066367 |
| SMILES | CC(C(=O)OC)O |
| Synonym | methyl lactate,dl-methyl lactate,methyl dl-lactate,lactic acid methyl ester,methyl 2-hydroxypropionate,lactic acid, methyl ester,+--methyl lactate,propanoic acid, 2-hydroxy-, methyl ester,methyl alpha-hydroxypropionate,methyl-lactate |
| IUPAC Name | methyl 2-hydroxypropanoate |
| InChI Key | LPEKGGXMPWTOCB-UHFFFAOYSA-N |
Methyl 2-chloropropionate, 97%
CAS: 17639-93-9 Molecular Formula: C4H7ClO2 Molecular Weight (g/mol): 122.55 MDL Number: MFCD00000863 InChI Key: JLEJCNOTNLZCHQ-UHFFFAOYNA-N Synonym: methyl 2-chloropropionate,propanoic acid, 2-chloro-, methyl ester,2-chloropropionic acid methyl ester,propionic acid, 2-chloro-, methyl ester,methyl alpha-chloropropionate,methyl .alpha.-chloropropionate,.alpha.-chloropropionic acid methyl ester,propanoic acid, 2-chloro-, methyl ester, s,ch3chclc o och3,acmc-1bl6f PubChem CID: 28659 IUPAC Name: methyl 2-chloropropanoate SMILES: COC(=O)C(C)Cl
| PubChem CID | 28659 |
|---|---|
| CAS | 17639-93-9 |
| Molecular Weight (g/mol) | 122.55 |
| MDL Number | MFCD00000863 |
| SMILES | COC(=O)C(C)Cl |
| Synonym | methyl 2-chloropropionate,propanoic acid, 2-chloro-, methyl ester,2-chloropropionic acid methyl ester,propionic acid, 2-chloro-, methyl ester,methyl alpha-chloropropionate,methyl .alpha.-chloropropionate,.alpha.-chloropropionic acid methyl ester,propanoic acid, 2-chloro-, methyl ester, s,ch3chclc o och3,acmc-1bl6f |
| IUPAC Name | methyl 2-chloropropanoate |
| InChI Key | JLEJCNOTNLZCHQ-UHFFFAOYNA-N |
| Molecular Formula | C4H7ClO2 |
Methyl cyclopentanecarboxylate, 97%
CAS: 4630-80-2 Molecular Formula: C7H12O2 Molecular Weight (g/mol): 128.17 MDL Number: MFCD00019290 InChI Key: IIHIJFJSXPDTNO-UHFFFAOYSA-N Synonym: cyclopentanecarboxylic acid, methyl ester,cyclopentanecarboxylic acid methyl ester,methyl cyclopentanoate,acmc-1am5n,methylcyclopentanecarboxylate,methylcyclopentane carboxylate,methyl cyclopentane carboxylate,methyl-1-cyclopentanecarboxylate,cyclopentanoic acid methyl ester,cyclopentanecarboxylic acid methyl PubChem CID: 78365 IUPAC Name: methyl cyclopentanecarboxylate SMILES: COC(=O)C1CCCC1
| PubChem CID | 78365 |
|---|---|
| CAS | 4630-80-2 |
| Molecular Weight (g/mol) | 128.17 |
| MDL Number | MFCD00019290 |
| SMILES | COC(=O)C1CCCC1 |
| Synonym | cyclopentanecarboxylic acid, methyl ester,cyclopentanecarboxylic acid methyl ester,methyl cyclopentanoate,acmc-1am5n,methylcyclopentanecarboxylate,methylcyclopentane carboxylate,methyl cyclopentane carboxylate,methyl-1-cyclopentanecarboxylate,cyclopentanoic acid methyl ester,cyclopentanecarboxylic acid methyl |
| IUPAC Name | methyl cyclopentanecarboxylate |
| InChI Key | IIHIJFJSXPDTNO-UHFFFAOYSA-N |
| Molecular Formula | C7H12O2 |
Diethyl maleate, 97%
CAS: 141-05-9 Molecular Weight (g/mol): 172.18 MDL Number: MFCD00009191 InChI Key: IEPRKVQEAMIZSS-WAYWQWQTSA-N Synonym: diethyl maleate,ethyl maleate,maleic acid, diethyl ester,diethylmaleate,maleic acid diethyl ester,2-butenedioic acid z-, diethyl ester,diethyl z-but-2-enedioate,diethyl 2z-but-2-enedioate,unii-g81wqb56ol,ccris 941 PubChem CID: 5271566 ChEBI: CHEBI:68508 IUPAC Name: diethyl (Z)-but-2-enedioate SMILES: CCOC(=O)C=CC(=O)OCC
| PubChem CID | 5271566 |
|---|---|
| CAS | 141-05-9 |
| Molecular Weight (g/mol) | 172.18 |
| ChEBI | CHEBI:68508 |
| MDL Number | MFCD00009191 |
| SMILES | CCOC(=O)C=CC(=O)OCC |
| Synonym | diethyl maleate,ethyl maleate,maleic acid, diethyl ester,diethylmaleate,maleic acid diethyl ester,2-butenedioic acid z-, diethyl ester,diethyl z-but-2-enedioate,diethyl 2z-but-2-enedioate,unii-g81wqb56ol,ccris 941 |
| IUPAC Name | diethyl (Z)-but-2-enedioate |
| InChI Key | IEPRKVQEAMIZSS-WAYWQWQTSA-N |
Methyl phenylpropiolate, 97%
CAS: 4891-38-7 Molecular Formula: C10H8O2 Molecular Weight (g/mol): 160.172 MDL Number: MFCD00041685 InChI Key: JFGWPXKGINUNDH-UHFFFAOYSA-N Synonym: methyl phenylpropiolate,methyl 3-phenylpropiolate,phenylpropynoic acid methyl ester,2-propynoic acid, 3-phenyl-, methyl ester,methyl phenylpropargylate,phenylpropiolic acid methyl ester,propiolic acid, 3-phenyl-, methyl ester,methylphenylpropalate,propiolic acid, phenyl-, methyl ester,methyl phenylpropynoate PubChem CID: 138378 IUPAC Name: methyl 3-phenylprop-2-ynoate SMILES: COC(=O)C#CC1=CC=CC=C1
| PubChem CID | 138378 |
|---|---|
| CAS | 4891-38-7 |
| Molecular Weight (g/mol) | 160.172 |
| MDL Number | MFCD00041685 |
| SMILES | COC(=O)C#CC1=CC=CC=C1 |
| Synonym | methyl phenylpropiolate,methyl 3-phenylpropiolate,phenylpropynoic acid methyl ester,2-propynoic acid, 3-phenyl-, methyl ester,methyl phenylpropargylate,phenylpropiolic acid methyl ester,propiolic acid, 3-phenyl-, methyl ester,methylphenylpropalate,propiolic acid, phenyl-, methyl ester,methyl phenylpropynoate |
| IUPAC Name | methyl 3-phenylprop-2-ynoate |
| InChI Key | JFGWPXKGINUNDH-UHFFFAOYSA-N |
| Molecular Formula | C10H8O2 |
Methyl p-toluate, 99%
CAS: 99-75-2 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.177 MDL Number: MFCD00008441 InChI Key: QSSJZLPUHJDYKF-UHFFFAOYSA-N Synonym: methyl p-toluate,methyl-p-toluate,p-carbomethoxytoluene,methyl 4-toluate,4-methylbenzoic acid methyl ester,methyl p-methylbenzoate,benzoic acid, 4-methyl-, methyl ester,4-methoxycarbonyl toluene,p-toluic acid, methyl ester,methyl p-toluenecarboxylate PubChem CID: 7455 IUPAC Name: methyl 4-methylbenzoate SMILES: CC1=CC=C(C=C1)C(=O)OC
| PubChem CID | 7455 |
|---|---|
| CAS | 99-75-2 |
| Molecular Weight (g/mol) | 150.177 |
| MDL Number | MFCD00008441 |
| SMILES | CC1=CC=C(C=C1)C(=O)OC |
| Synonym | methyl p-toluate,methyl-p-toluate,p-carbomethoxytoluene,methyl 4-toluate,4-methylbenzoic acid methyl ester,methyl p-methylbenzoate,benzoic acid, 4-methyl-, methyl ester,4-methoxycarbonyl toluene,p-toluic acid, methyl ester,methyl p-toluenecarboxylate |
| IUPAC Name | methyl 4-methylbenzoate |
| InChI Key | QSSJZLPUHJDYKF-UHFFFAOYSA-N |
| Molecular Formula | C9H10O2 |
Ethyl tiglate, 98%
CAS: 5837-78-5 Molecular Formula: C7H12O2 Molecular Weight (g/mol): 128.171 MDL Number: MFCD00015183 InChI Key: OAPHLAAOJMTMLY-GQCTYLIASA-N Synonym: ethyl tiglate,tiglic acid, ethyl ester,ethyl 2-methylcrotonate,ethyl alpha-methylcrotonate,ethyl trans-2-methyl-2-butenoate,e-2-methyl-2-butenoic acid ethyl ester,ethyl e-2-methylcrotonate,ethyl trans-2-methylcrotonate,tiglic acid ethyl ester,ethyl 2-methylbut-2-enoate PubChem CID: 5281163 ChEBI: CHEBI:4892 IUPAC Name: ethyl (E)-2-methylbut-2-enoate SMILES: CCOC(=O)C(=CC)C
| PubChem CID | 5281163 |
|---|---|
| CAS | 5837-78-5 |
| Molecular Weight (g/mol) | 128.171 |
| ChEBI | CHEBI:4892 |
| MDL Number | MFCD00015183 |
| SMILES | CCOC(=O)C(=CC)C |
| Synonym | ethyl tiglate,tiglic acid, ethyl ester,ethyl 2-methylcrotonate,ethyl alpha-methylcrotonate,ethyl trans-2-methyl-2-butenoate,e-2-methyl-2-butenoic acid ethyl ester,ethyl e-2-methylcrotonate,ethyl trans-2-methylcrotonate,tiglic acid ethyl ester,ethyl 2-methylbut-2-enoate |
| IUPAC Name | ethyl (E)-2-methylbut-2-enoate |
| InChI Key | OAPHLAAOJMTMLY-GQCTYLIASA-N |
| Molecular Formula | C7H12O2 |
Methyl trans-2-hexenoate, 97%
CAS: 13894-63-8 Molecular Formula: C7H12O2 Molecular Weight (g/mol): 128.171 MDL Number: MFCD00048798 InChI Key: GFUGBRNILVVWIE-AATRIKPKSA-N Synonym: methyl 2-hexenoate,methyl e-2-hexenoate,methyl trans-2-hexenoate,methyl e-hex-2-enoate,methyl 2e-hexenoate,methyl 2e-hex-2-enoate,2-hexenoic acid, methyl ester, e,methyl 2e-2-hexenoate,2e-2-hexenoic acid methyl ester,unii-x2ddu82182 PubChem CID: 5364409 IUPAC Name: methyl (E)-hex-2-enoate SMILES: CCCC=CC(=O)OC
| PubChem CID | 5364409 |
|---|---|
| CAS | 13894-63-8 |
| Molecular Weight (g/mol) | 128.171 |
| MDL Number | MFCD00048798 |
| SMILES | CCCC=CC(=O)OC |
| Synonym | methyl 2-hexenoate,methyl e-2-hexenoate,methyl trans-2-hexenoate,methyl e-hex-2-enoate,methyl 2e-hexenoate,methyl 2e-hex-2-enoate,2-hexenoic acid, methyl ester, e,methyl 2e-2-hexenoate,2e-2-hexenoic acid methyl ester,unii-x2ddu82182 |
| IUPAC Name | methyl (E)-hex-2-enoate |
| InChI Key | GFUGBRNILVVWIE-AATRIKPKSA-N |
| Molecular Formula | C7H12O2 |
Isopropenyl acetate, 99%
CAS: 108-22-5 Molecular Formula: C5H8O2 Molecular Weight (g/mol): 100.12 MDL Number: MFCD00008709 InChI Key: HETCEOQFVDFGSY-UHFFFAOYSA-N Synonym: isopropenyl acetate,2-acetoxypropene,1-methylvinyl acetate,2-acetoxypropylene,methylvinyl acetate,1-propen-2-ol, acetate,propen-2-yl acetate,acetic acid isopropenyl ester,1-acetoxy-1-methylethylene,1-propen-2-yl acetate PubChem CID: 7916 IUPAC Name: prop-1-en-2-yl acetate SMILES: CC(=C)OC(C)=O
| PubChem CID | 7916 |
|---|---|
| CAS | 108-22-5 |
| Molecular Weight (g/mol) | 100.12 |
| MDL Number | MFCD00008709 |
| SMILES | CC(=C)OC(C)=O |
| Synonym | isopropenyl acetate,2-acetoxypropene,1-methylvinyl acetate,2-acetoxypropylene,methylvinyl acetate,1-propen-2-ol, acetate,propen-2-yl acetate,acetic acid isopropenyl ester,1-acetoxy-1-methylethylene,1-propen-2-yl acetate |
| IUPAC Name | prop-1-en-2-yl acetate |
| InChI Key | HETCEOQFVDFGSY-UHFFFAOYSA-N |
| Molecular Formula | C5H8O2 |