Organic acids and derivatives
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Dimethyl Fumarate, Certified Reference Material, MilliporeSigma™ Supelco™
Pharmaceutical secondary standards for application in quality control. Provides pharma laboratories and manufacturers with a convenient, and cost-effective alternative to the preparation of in-house working standards.
trans-Ethyl crotonate, 96%
CAS: 623-70-1 Molecular Formula: C6H10O2 Molecular Weight (g/mol): 114.14 MDL Number: MFCD00009289 InChI Key: ZFDIRQKJPRINOQ-HWKANZROSA-N Synonym: ethyl crotonate,ethyl trans-crotonate,ethyl e-but-2-enoate,ethyl trans-2-butenoate,crotonic acid, ethyl ester,2-butenoic acid, ethyl ester, 2e,ethyl e-2-butenoate,2-butenoic acid, ethyl ester,ethyl 2e-but-2-enoate,crotonic acid, ethyl ester, e PubChem CID: 429065 IUPAC Name: ethyl (E)-but-2-enoate SMILES: CCOC(=O)\C=C\C
| PubChem CID | 429065 |
|---|---|
| CAS | 623-70-1 |
| Molecular Weight (g/mol) | 114.14 |
| MDL Number | MFCD00009289 |
| SMILES | CCOC(=O)\C=C\C |
| Synonym | ethyl crotonate,ethyl trans-crotonate,ethyl e-but-2-enoate,ethyl trans-2-butenoate,crotonic acid, ethyl ester,2-butenoic acid, ethyl ester, 2e,ethyl e-2-butenoate,2-butenoic acid, ethyl ester,ethyl 2e-but-2-enoate,crotonic acid, ethyl ester, e |
| IUPAC Name | ethyl (E)-but-2-enoate |
| InChI Key | ZFDIRQKJPRINOQ-HWKANZROSA-N |
| Molecular Formula | C6H10O2 |
2-Hydroxyethyl methacrylate, 97%, stab. with 4-methoxyphenol
CAS: 868-77-9 Molecular Formula: C6H10O3 Molecular Weight (g/mol): 130.143 MDL Number: MFCD00002863 InChI Key: WOBHKFSMXKNTIM-UHFFFAOYSA-N Synonym: 2-hydroxyethyl methacrylate,glycol methacrylate,hydroxyethyl methacrylate,glycol monomethacrylate,hema,ethylene glycol methacrylate,2-methacryloyloxy ethanol,2-hydroxyethylmethacrylate,mhoromer,monomer mg-1 PubChem CID: 13360 ChEBI: CHEBI:34288 IUPAC Name: 2-hydroxyethyl 2-methylprop-2-enoate SMILES: CC(=C)C(=O)OCCO
| PubChem CID | 13360 |
|---|---|
| CAS | 868-77-9 |
| Molecular Weight (g/mol) | 130.143 |
| ChEBI | CHEBI:34288 |
| MDL Number | MFCD00002863 |
| SMILES | CC(=C)C(=O)OCCO |
| Synonym | 2-hydroxyethyl methacrylate,glycol methacrylate,hydroxyethyl methacrylate,glycol monomethacrylate,hema,ethylene glycol methacrylate,2-methacryloyloxy ethanol,2-hydroxyethylmethacrylate,mhoromer,monomer mg-1 |
| IUPAC Name | 2-hydroxyethyl 2-methylprop-2-enoate |
| InChI Key | WOBHKFSMXKNTIM-UHFFFAOYSA-N |
| Molecular Formula | C6H10O3 |
Methyl 3-bromopropionate, 97%
CAS: 3395-91-3 Molecular Formula: C4H7BrO2 Molecular Weight (g/mol): 167.00 MDL Number: MFCD00000250 InChI Key: KQEVIFKPZOGBMZ-UHFFFAOYSA-N Synonym: methyl 3-bromopropionate,propanoic acid, 3-bromo-, methyl ester,methyl beta-bromopropionate,3-bromopropionic acid methyl ester,propionic acid, 3-bromo-, methyl ester,3-bromopropanoic acid methyl ester,unii-y803ch1p4w,beta-bromopropionic acid, methyl ester,methyl .beta.-bromopropionate,3-bromo-propionic acid methyl ester PubChem CID: 76934 IUPAC Name: methyl 3-bromopropanoate SMILES: COC(=O)CCBr
| PubChem CID | 76934 |
|---|---|
| CAS | 3395-91-3 |
| Molecular Weight (g/mol) | 167.00 |
| MDL Number | MFCD00000250 |
| SMILES | COC(=O)CCBr |
| Synonym | methyl 3-bromopropionate,propanoic acid, 3-bromo-, methyl ester,methyl beta-bromopropionate,3-bromopropionic acid methyl ester,propionic acid, 3-bromo-, methyl ester,3-bromopropanoic acid methyl ester,unii-y803ch1p4w,beta-bromopropionic acid, methyl ester,methyl .beta.-bromopropionate,3-bromo-propionic acid methyl ester |
| IUPAC Name | methyl 3-bromopropanoate |
| InChI Key | KQEVIFKPZOGBMZ-UHFFFAOYSA-N |
| Molecular Formula | C4H7BrO2 |
Vinyl decanoate, 95%, stab.
CAS: 4704-31-8 Molecular Formula: C12H22O2 Molecular Weight (g/mol): 198.306 MDL Number: MFCD00027349 InChI Key: CMDXMIHZUJPRHG-UHFFFAOYSA-N Synonym: vinyl decanoate,decanoic acid, vinyl ester,vinyl n-decanoate,unii-ff00i399li,decanoic acid, ethenyl ester,n-capric acid vinyl ester,decanoic acid vinyl,acmc-1aqz4,decanoic acid vinyl ester,capric acid vinyl ester = vinyl decenoate PubChem CID: 62140 IUPAC Name: ethenyl decanoate SMILES: CCCCCCCCCC(=O)OC=C
| PubChem CID | 62140 |
|---|---|
| CAS | 4704-31-8 |
| Molecular Weight (g/mol) | 198.306 |
| MDL Number | MFCD00027349 |
| SMILES | CCCCCCCCCC(=O)OC=C |
| Synonym | vinyl decanoate,decanoic acid, vinyl ester,vinyl n-decanoate,unii-ff00i399li,decanoic acid, ethenyl ester,n-capric acid vinyl ester,decanoic acid vinyl,acmc-1aqz4,decanoic acid vinyl ester,capric acid vinyl ester = vinyl decenoate |
| IUPAC Name | ethenyl decanoate |
| InChI Key | CMDXMIHZUJPRHG-UHFFFAOYSA-N |
| Molecular Formula | C12H22O2 |
tert-Butyl propiolate, 98%
CAS: 13831-03-3 Molecular Formula: C7H10O2 Molecular Weight (g/mol): 126.16 MDL Number: MFCD00060100 InChI Key: XGTPDIIFEPTULX-UHFFFAOYSA-N Synonym: tert-butyl propiolate,propiolic acid tert-butyl ester,t-butyl propiolate,2-propynoic acid, 1,1-dimethylethyl ester,boc-acetylene,tert-butyl propalate,tert-butyl propargylate,acmc-209chj,tert-butyl propiolate # PubChem CID: 543038 IUPAC Name: tert-butyl prop-2-ynoate SMILES: CC(C)(C)OC(=O)C#C
| PubChem CID | 543038 |
|---|---|
| CAS | 13831-03-3 |
| Molecular Weight (g/mol) | 126.16 |
| MDL Number | MFCD00060100 |
| SMILES | CC(C)(C)OC(=O)C#C |
| Synonym | tert-butyl propiolate,propiolic acid tert-butyl ester,t-butyl propiolate,2-propynoic acid, 1,1-dimethylethyl ester,boc-acetylene,tert-butyl propalate,tert-butyl propargylate,acmc-209chj,tert-butyl propiolate # |
| IUPAC Name | tert-butyl prop-2-ynoate |
| InChI Key | XGTPDIIFEPTULX-UHFFFAOYSA-N |
| Molecular Formula | C7H10O2 |
Methyl tiglate, 98%
CAS: 6622-76-0 Molecular Formula: C6H10O2 Molecular Weight (g/mol): 114.14 MDL Number: MFCD00016654 InChI Key: YYJWBYNQJLBIGS-PLNGDYQASA-N Synonym: methyl tiglate,tiglic acid methyl ester,methyl 2-methylbut-2-enoate,methyl 2-methyl-2-butenoate,methyl e-2-methylcrotonate,methyl 2-methylcrotonate,methyl alpha-methylcrotonate,methyl trans-2-methylcrotonate,2-butenoic acid, 2-methyl-, methyl ester, e,crotonic acid, 2-methyl-, methyl ester, e PubChem CID: 5323652 IUPAC Name: methyl (E)-2-methylbut-2-enoate SMILES: COC(=O)C(\C)=C/C
| PubChem CID | 5323652 |
|---|---|
| CAS | 6622-76-0 |
| Molecular Weight (g/mol) | 114.14 |
| MDL Number | MFCD00016654 |
| SMILES | COC(=O)C(\C)=C/C |
| Synonym | methyl tiglate,tiglic acid methyl ester,methyl 2-methylbut-2-enoate,methyl 2-methyl-2-butenoate,methyl e-2-methylcrotonate,methyl 2-methylcrotonate,methyl alpha-methylcrotonate,methyl trans-2-methylcrotonate,2-butenoic acid, 2-methyl-, methyl ester, e,crotonic acid, 2-methyl-, methyl ester, e |
| IUPAC Name | methyl (E)-2-methylbut-2-enoate |
| InChI Key | YYJWBYNQJLBIGS-PLNGDYQASA-N |
| Molecular Formula | C6H10O2 |
Ethyl 2-cyanoacrylate
CAS: 7085-85-0 Molecular Formula: C6H7NO2 Molecular Weight (g/mol): 125.13 MDL Number: MFCD00045615 InChI Key: FGBJXOREULPLGL-UHFFFAOYSA-N Synonym: ethyl 2-cyanoacrylate,ethyl cyanoacrylate,2-propenoic acid, 2-cyano-, ethyl ester,unii-2g95foh7sf,ccris 1693,acrylic acid, 2-cyano-, ethyl ester,2g95foh7sf,2-cyanoacrylic acid ethyl ester,2-propenoic acid,2-cyano-, ethyl ester,dsstox_cid_5279 PubChem CID: 81530 IUPAC Name: ethyl 2-cyanoprop-2-enoate SMILES: CCOC(=O)C(=C)C#N
| PubChem CID | 81530 |
|---|---|
| CAS | 7085-85-0 |
| Molecular Weight (g/mol) | 125.13 |
| MDL Number | MFCD00045615 |
| SMILES | CCOC(=O)C(=C)C#N |
| Synonym | ethyl 2-cyanoacrylate,ethyl cyanoacrylate,2-propenoic acid, 2-cyano-, ethyl ester,unii-2g95foh7sf,ccris 1693,acrylic acid, 2-cyano-, ethyl ester,2g95foh7sf,2-cyanoacrylic acid ethyl ester,2-propenoic acid,2-cyano-, ethyl ester,dsstox_cid_5279 |
| IUPAC Name | ethyl 2-cyanoprop-2-enoate |
| InChI Key | FGBJXOREULPLGL-UHFFFAOYSA-N |
| Molecular Formula | C6H7NO2 |
Methyl 4-bromocrotonate, 85%, tech.
CAS: 1117-71-1 Molecular Formula: C5H7BrO2 Molecular Weight (g/mol): 179.01 MDL Number: MFCD00000246,MFCD09998308 InChI Key: RWIKCBHOVNDESJ-NSCUHMNNSA-N Synonym: methyl 4-bromocrotonate,e-methyl 4-bromobut-2-enoate,4-bromocrotonic acid methyl ester,methyl gamma-bromocrotonate,methyl bromocrotonate,methyl 4-bromo-2-butenoate,2-butenoic acid, 4-bromo-, methyl ester,methyl 4-bromobut-2-enoate,methyl 2e-4-bromobut-2-enoate,crotonic acid, 4-bromo-, methyl ester PubChem CID: 5369175 SMILES: COC(=O)\C=C\CBr
| PubChem CID | 5369175 |
|---|---|
| CAS | 1117-71-1 |
| Molecular Weight (g/mol) | 179.01 |
| MDL Number | MFCD00000246,MFCD09998308 |
| SMILES | COC(=O)\C=C\CBr |
| Synonym | methyl 4-bromocrotonate,e-methyl 4-bromobut-2-enoate,4-bromocrotonic acid methyl ester,methyl gamma-bromocrotonate,methyl bromocrotonate,methyl 4-bromo-2-butenoate,2-butenoic acid, 4-bromo-, methyl ester,methyl 4-bromobut-2-enoate,methyl 2e-4-bromobut-2-enoate,crotonic acid, 4-bromo-, methyl ester |
| InChI Key | RWIKCBHOVNDESJ-NSCUHMNNSA-N |
| Molecular Formula | C5H7BrO2 |
Methyl azetidine-3-carboxylate hydrochloride, 95%, Thermo Scientific Chemicals
CAS: 100202-39-9 Molecular Formula: C5H10ClNO2 Molecular Weight (g/mol): 151.59 MDL Number: MFCD01861758 InChI Key: UOCWTLBPYROHEF-UHFFFAOYSA-N Synonym: methyl azetidine-3-carboxylate hydrochloride,azetidine-3-methyl carboxylate hydrochloride,azetidine-3-carboxylic acid methyl ester hydrochloride,3-azetidinecarboxylic acid, methyl ester, hydrochloride,methyl azetidine-3-carboxylate hcl,methylazetidine-3-carboxylate hydrochloride,methyl 3-azetidinecarboxylate hydrochloride,azetidine-3-carboxylic acid methyl ester hcl,pubchem23516,acmc-209tka PubChem CID: 21100040 IUPAC Name: methyl azetidine-3-carboxylate;hydrochloride SMILES: Cl.COC(=O)C1CNC1
| PubChem CID | 21100040 |
|---|---|
| CAS | 100202-39-9 |
| Molecular Weight (g/mol) | 151.59 |
| MDL Number | MFCD01861758 |
| SMILES | Cl.COC(=O)C1CNC1 |
| Synonym | methyl azetidine-3-carboxylate hydrochloride,azetidine-3-methyl carboxylate hydrochloride,azetidine-3-carboxylic acid methyl ester hydrochloride,3-azetidinecarboxylic acid, methyl ester, hydrochloride,methyl azetidine-3-carboxylate hcl,methylazetidine-3-carboxylate hydrochloride,methyl 3-azetidinecarboxylate hydrochloride,azetidine-3-carboxylic acid methyl ester hcl,pubchem23516,acmc-209tka |
| IUPAC Name | methyl azetidine-3-carboxylate;hydrochloride |
| InChI Key | UOCWTLBPYROHEF-UHFFFAOYSA-N |
| Molecular Formula | C5H10ClNO2 |
Methyl 3-aminobenzoate, 98%
CAS: 4518-10-9 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.16 MDL Number: MFCD00017102 InChI Key: VZDNXXPBYLGWOS-UHFFFAOYSA-N
| CAS | 4518-10-9 |
|---|---|
| Molecular Weight (g/mol) | 151.16 |
| MDL Number | MFCD00017102 |
| InChI Key | VZDNXXPBYLGWOS-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO2 |
Dehydroacetic acid, 98%
CAS: 520-45-6 Molecular Formula: C8H8O4 Molecular Weight (g/mol): 168.15 MDL Number: MFCD00066709 InChI Key: PGRHXDWITVMQBC-UHFFFAOYSA-N Synonym: dehydroacetic acid,3-acetyl-6-methyl-2h-pyran-2,4 3h-dione,methylacetopyronone,dehydracetic acid,biocide 470f,acetic acid, dehydro,3-acetyl-6-methyl-2,4-pyrandione,2h-pyran-2,4 3h-dione, 3-acetyl-6-methyl,3-acetyl-6-methyl-pyran-2,4-dione,3-acetyl-6-methyldihydropyrandione-2,4 PubChem CID: 122903 IUPAC Name: 3-acetyl-6-methylpyran-2,4-dione SMILES: CC1=CC(=O)C(C(=O)O1)C(=O)C
| PubChem CID | 122903 |
|---|---|
| CAS | 520-45-6 |
| Molecular Weight (g/mol) | 168.15 |
| MDL Number | MFCD00066709 |
| SMILES | CC1=CC(=O)C(C(=O)O1)C(=O)C |
| Synonym | dehydroacetic acid,3-acetyl-6-methyl-2h-pyran-2,4 3h-dione,methylacetopyronone,dehydracetic acid,biocide 470f,acetic acid, dehydro,3-acetyl-6-methyl-2,4-pyrandione,2h-pyran-2,4 3h-dione, 3-acetyl-6-methyl,3-acetyl-6-methyl-pyran-2,4-dione,3-acetyl-6-methyldihydropyrandione-2,4 |
| IUPAC Name | 3-acetyl-6-methylpyran-2,4-dione |
| InChI Key | PGRHXDWITVMQBC-UHFFFAOYSA-N |
| Molecular Formula | C8H8O4 |
methyl 4-amino-1-methyl-1H-pyrrole-2-carboxylate hydrochloride, Thermo Scientific™
CAS: 180258-45-1 Molecular Formula: C7H11ClN2O2 Molecular Weight (g/mol): 190.63 MDL Number: MFCD01318761 InChI Key: HEOKCJUUKIPIMM-UHFFFAOYSA-N Synonym: methyl 4-amino-1-methyl-1h-pyrrole-2-carboxylate hydrochloride,methyl 4-amino-1-methylpyrrole-2-carboxylate hydrochloride,methyl-4-amino-1-methyl pyrrole-2-carboxylate hydrochloride,4-amino-1-methyl-1h-pyrrole-2-carboxylic acid-methyl ester hcl,4-amino-1-methylpyrrole-2-carboxylic acid methyl ester hydrochloride,h-nh 4-mepyl-2-ome hcl,methyl 4-amino-1-methyl-pyrrole-2-carboxylate hydrochloride,methyl-4-amino-1-methyl pyrrole-2-carboxylate, hcl,n-methyl-2-carbomethoxy-4-aminopyrrole hydrochloride,3-amino-1-methyl-5-methyloxycarbonylpyrrol hydrochloride PubChem CID: 2794656 SMILES: Cl.COC(=O)C1=CC(N)=CN1C
| PubChem CID | 2794656 |
|---|---|
| CAS | 180258-45-1 |
| Molecular Weight (g/mol) | 190.63 |
| MDL Number | MFCD01318761 |
| SMILES | Cl.COC(=O)C1=CC(N)=CN1C |
| Synonym | methyl 4-amino-1-methyl-1h-pyrrole-2-carboxylate hydrochloride,methyl 4-amino-1-methylpyrrole-2-carboxylate hydrochloride,methyl-4-amino-1-methyl pyrrole-2-carboxylate hydrochloride,4-amino-1-methyl-1h-pyrrole-2-carboxylic acid-methyl ester hcl,4-amino-1-methylpyrrole-2-carboxylic acid methyl ester hydrochloride,h-nh 4-mepyl-2-ome hcl,methyl 4-amino-1-methyl-pyrrole-2-carboxylate hydrochloride,methyl-4-amino-1-methyl pyrrole-2-carboxylate, hcl,n-methyl-2-carbomethoxy-4-aminopyrrole hydrochloride,3-amino-1-methyl-5-methyloxycarbonylpyrrol hydrochloride |
| InChI Key | HEOKCJUUKIPIMM-UHFFFAOYSA-N |
| Molecular Formula | C7H11ClN2O2 |
Methyl methoxyacetate, 99%
CAS: 6290-49-9 Molecular Formula: C4H8O3 Molecular Weight (g/mol): 104.11 MDL Number: MFCD00008451 InChI Key: QRMHDGWGLNLHMN-UHFFFAOYSA-N Synonym: methyl methoxyacetate,acetic acid, methoxy-, methyl ester,methoxyacetic acid methyl ester,methyl-2-methoxyacetate,methoxyacetic acid, methyl ester,acetic acid, 2-methoxy-, methyl ester,unii-n960nq69lf,methoxy acetic acid methyl ester,methyl metoxyacetate,methyl methoxylacetate PubChem CID: 80507 ChEBI: CHEBI:34841 IUPAC Name: methyl 2-methoxyacetate SMILES: COCC(=O)OC
| PubChem CID | 80507 |
|---|---|
| CAS | 6290-49-9 |
| Molecular Weight (g/mol) | 104.11 |
| ChEBI | CHEBI:34841 |
| MDL Number | MFCD00008451 |
| SMILES | COCC(=O)OC |
| Synonym | methyl methoxyacetate,acetic acid, methoxy-, methyl ester,methoxyacetic acid methyl ester,methyl-2-methoxyacetate,methoxyacetic acid, methyl ester,acetic acid, 2-methoxy-, methyl ester,unii-n960nq69lf,methoxy acetic acid methyl ester,methyl metoxyacetate,methyl methoxylacetate |
| IUPAC Name | methyl 2-methoxyacetate |
| InChI Key | QRMHDGWGLNLHMN-UHFFFAOYSA-N |
| Molecular Formula | C4H8O3 |
2-Ethylhexyl methacrylate, 99%, stabilized
CAS: 688-84-6 Molecular Formula: C12H22O2 Molecular Weight (g/mol): 198.31 MDL Number: MFCD00009494 InChI Key: WDQMWEYDKDCEHT-UHFFFAOYSA-N Synonym: 2-ethylhexyl methacrylate,2-ethyl-1-hexyl methacrylate,2-ethylhexyl methacryate,2-propenoic acid, 2-methyl-, 2-ethylhexyl ester,methacrylic acid 2-ethylhexyl ester,methacrylic acid, 2-ethylhexyl ester,methacrylate, 2-ethylisohexy,2-ethylhexylmethacrylate,dsstox_cid_7293,dsstox_rid_78391 PubChem CID: 12713 IUPAC Name: 2-ethylhexyl 2-methylprop-2-enoate SMILES: CCCCC(CC)COC(=O)C(=C)C
| PubChem CID | 12713 |
|---|---|
| CAS | 688-84-6 |
| Molecular Weight (g/mol) | 198.31 |
| MDL Number | MFCD00009494 |
| SMILES | CCCCC(CC)COC(=O)C(=C)C |
| Synonym | 2-ethylhexyl methacrylate,2-ethyl-1-hexyl methacrylate,2-ethylhexyl methacryate,2-propenoic acid, 2-methyl-, 2-ethylhexyl ester,methacrylic acid 2-ethylhexyl ester,methacrylic acid, 2-ethylhexyl ester,methacrylate, 2-ethylisohexy,2-ethylhexylmethacrylate,dsstox_cid_7293,dsstox_rid_78391 |
| IUPAC Name | 2-ethylhexyl 2-methylprop-2-enoate |
| InChI Key | WDQMWEYDKDCEHT-UHFFFAOYSA-N |
| Molecular Formula | C12H22O2 |