Organic acids and derivatives
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Allyl acetate, 97%
CAS: 591-87-7 Molecular Formula: C5H8O2 Molecular Weight (g/mol): 100.117 MDL Number: MFCD00008721 InChI Key: FWZUNOYOVVKUNF-UHFFFAOYSA-N Synonym: allyl acetate,3-acetoxypropene,acetic acid, 2-propenyl ester,2-propenyl acetate,2-propenyl ethanoate,3-acetoxy-1-propene,allylacetate,acetic acid, allyl ester,2-propenyl methanoate,unii-e4u5e5990i PubChem CID: 11584 IUPAC Name: prop-2-enyl acetate SMILES: CC(=O)OCC=C
| PubChem CID | 11584 |
|---|---|
| CAS | 591-87-7 |
| Molecular Weight (g/mol) | 100.117 |
| MDL Number | MFCD00008721 |
| SMILES | CC(=O)OCC=C |
| Synonym | allyl acetate,3-acetoxypropene,acetic acid, 2-propenyl ester,2-propenyl acetate,2-propenyl ethanoate,3-acetoxy-1-propene,allylacetate,acetic acid, allyl ester,2-propenyl methanoate,unii-e4u5e5990i |
| IUPAC Name | prop-2-enyl acetate |
| InChI Key | FWZUNOYOVVKUNF-UHFFFAOYSA-N |
| Molecular Formula | C5H8O2 |
1-Naphthylacetic acid, 95%
CAS: 86-87-3 Molecular Formula: C12H10O2 Molecular Weight (g/mol): 186.21 MDL Number: MFCD00004046 InChI Key: PRPINYUDVPFIRX-UHFFFAOYSA-N Synonym: 1-naphthylacetic acid,1-naphthaleneacetic acid,2-naphthalen-1-yl acetic acid,naphthalene-1-acetic acid,transplantone,phyomone,planofix,1-naphthalene acetic acid,fruitone n,stop-drop PubChem CID: 6862 ChEBI: CHEBI:32918 IUPAC Name: 2-naphthalen-1-ylacetic acid SMILES: OC(=O)CC1=C2C=CC=CC2=CC=C1
| PubChem CID | 6862 |
|---|---|
| CAS | 86-87-3 |
| Molecular Weight (g/mol) | 186.21 |
| ChEBI | CHEBI:32918 |
| MDL Number | MFCD00004046 |
| SMILES | OC(=O)CC1=C2C=CC=CC2=CC=C1 |
| Synonym | 1-naphthylacetic acid,1-naphthaleneacetic acid,2-naphthalen-1-yl acetic acid,naphthalene-1-acetic acid,transplantone,phyomone,planofix,1-naphthalene acetic acid,fruitone n,stop-drop |
| IUPAC Name | 2-naphthalen-1-ylacetic acid |
| InChI Key | PRPINYUDVPFIRX-UHFFFAOYSA-N |
| Molecular Formula | C12H10O2 |
1-Phenyl-1H-pyrazole-5-carboxylic acid, 97%, Thermo Scientific™
CAS: 1133-77-3 Molecular Formula: C10H8N2O2 Molecular Weight (g/mol): 188.19 MDL Number: MFCD00463580 InChI Key: FLYDUXCFCARXHI-UHFFFAOYSA-N Synonym: 1-phenyl-1h-pyrazole-5-carboxylic acid,2-phenyl-2h-pyrazole-3-carboxylic acid,1h-pyrazole-5-carboxylic acid, 1-phenyl,1-phenylpyrazole-5-carboxylic acid,1-phenyl-1h-pyrazole-5-carboxylicacid,1h-pyrazole-5-carboxylicacid, 1-phenyl,5-carboxy-1h-pyrazol-1-yl benzene PubChem CID: 237056 IUPAC Name: 2-phenylpyrazole-3-carboxylic acid SMILES: OC(=O)C1=CC=NN1C1=CC=CC=C1
| PubChem CID | 237056 |
|---|---|
| CAS | 1133-77-3 |
| Molecular Weight (g/mol) | 188.19 |
| MDL Number | MFCD00463580 |
| SMILES | OC(=O)C1=CC=NN1C1=CC=CC=C1 |
| Synonym | 1-phenyl-1h-pyrazole-5-carboxylic acid,2-phenyl-2h-pyrazole-3-carboxylic acid,1h-pyrazole-5-carboxylic acid, 1-phenyl,1-phenylpyrazole-5-carboxylic acid,1-phenyl-1h-pyrazole-5-carboxylicacid,1h-pyrazole-5-carboxylicacid, 1-phenyl,5-carboxy-1h-pyrazol-1-yl benzene |
| IUPAC Name | 2-phenylpyrazole-3-carboxylic acid |
| InChI Key | FLYDUXCFCARXHI-UHFFFAOYSA-N |
| Molecular Formula | C10H8N2O2 |
Ethyl pyruvate, 98%
CAS: 617-35-6 Molecular Formula: C5H8O3 Molecular Weight (g/mol): 116.116 MDL Number: MFCD00009123 InChI Key: XXRCUYVCPSWGCC-UHFFFAOYSA-N Synonym: ethyl pyruvate,ethyl 2-oxopropionate,pyruvic acid, ethyl ester,propanoic acid, 2-oxo-, ethyl ester,pyruvic acid ethyl ester,ethyl pyroracemate,ethyl acetylformate,2-oxo-propionic acid ethyl ester,ethyl pyruvate natural,ethyl alpha-ketopropionate PubChem CID: 12041 IUPAC Name: ethyl 2-oxopropanoate SMILES: CCOC(=O)C(=O)C
| PubChem CID | 12041 |
|---|---|
| CAS | 617-35-6 |
| Molecular Weight (g/mol) | 116.116 |
| MDL Number | MFCD00009123 |
| SMILES | CCOC(=O)C(=O)C |
| Synonym | ethyl pyruvate,ethyl 2-oxopropionate,pyruvic acid, ethyl ester,propanoic acid, 2-oxo-, ethyl ester,pyruvic acid ethyl ester,ethyl pyroracemate,ethyl acetylformate,2-oxo-propionic acid ethyl ester,ethyl pyruvate natural,ethyl alpha-ketopropionate |
| IUPAC Name | ethyl 2-oxopropanoate |
| InChI Key | XXRCUYVCPSWGCC-UHFFFAOYSA-N |
| Molecular Formula | C5H8O3 |
Cholesterol Pelargonate, Spectrum™ Chemical
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CAS: 1182-66-7
| CAS | 1182-66-7 |
|---|
Isopropyl tetradecanoate, 98%
CAS: 110-27-0 Molecular Formula: C17H34O2 Molecular Weight (g/mol): 270.457 MDL Number: MFCD00008982 InChI Key: AXISYYRBXTVTFY-UHFFFAOYSA-N Synonym: isopropyl myristate,isopropyl tetradecanoate,estergel,bisomel,isomyst,promyr,tetradecanoic acid, 1-methylethyl ester,deltyl extra,kesscomir,tegester PubChem CID: 8042 IUPAC Name: propan-2-yl tetradecanoate SMILES: CCCCCCCCCCCCCC(=O)OC(C)C
| PubChem CID | 8042 |
|---|---|
| CAS | 110-27-0 |
| Molecular Weight (g/mol) | 270.457 |
| MDL Number | MFCD00008982 |
| SMILES | CCCCCCCCCCCCCC(=O)OC(C)C |
| Synonym | isopropyl myristate,isopropyl tetradecanoate,estergel,bisomel,isomyst,promyr,tetradecanoic acid, 1-methylethyl ester,deltyl extra,kesscomir,tegester |
| IUPAC Name | propan-2-yl tetradecanoate |
| InChI Key | AXISYYRBXTVTFY-UHFFFAOYSA-N |
| Molecular Formula | C17H34O2 |
5-Acetylvaleric acid, 96%
CAS: 3128-07-2 Molecular Formula: C7H12O3 Molecular Weight (g/mol): 144.17 MDL Number: MFCD00051479 InChI Key: IZOQMUVIDMLRDC-UHFFFAOYSA-N Synonym: 5-acetylvaleric acid,heptanoic acid, 6-oxo,5-aceto valeric acid,6-oxo-heptanoic acid,unii-4u902i8qzo,5-acetylvalericacid,6-oxoenanthic acid,6-ketoheptanoic acid,5-acetylpentanoic acid,# PubChem CID: 98810 IUPAC Name: 6-oxoheptanoic acid SMILES: CC(=O)CCCCC(=O)O
| PubChem CID | 98810 |
|---|---|
| CAS | 3128-07-2 |
| Molecular Weight (g/mol) | 144.17 |
| MDL Number | MFCD00051479 |
| SMILES | CC(=O)CCCCC(=O)O |
| Synonym | 5-acetylvaleric acid,heptanoic acid, 6-oxo,5-aceto valeric acid,6-oxo-heptanoic acid,unii-4u902i8qzo,5-acetylvalericacid,6-oxoenanthic acid,6-ketoheptanoic acid,5-acetylpentanoic acid,# |
| IUPAC Name | 6-oxoheptanoic acid |
| InChI Key | IZOQMUVIDMLRDC-UHFFFAOYSA-N |
| Molecular Formula | C7H12O3 |
6-Quinoxalinecarboxylic acid, 95%, Thermo Scientific™
CAS: 6925-00-4 Molecular Formula: C9H6N2O2 Molecular Weight (g/mol): 174.159 InChI Key: JGQDBVXRYDEWGM-UHFFFAOYSA-N Synonym: 6-quinoxalinecarboxylic acid,chinoxalin-6-carbonsaeure,quinoxaline-6-carboxylicacid,pubchem15419,quinoxaline-6-carboxylic acid PubChem CID: 674813 IUPAC Name: quinoxaline-6-carboxylic acid SMILES: C1=CC2=NC=CN=C2C=C1C(=O)O
| PubChem CID | 674813 |
|---|---|
| CAS | 6925-00-4 |
| Molecular Weight (g/mol) | 174.159 |
| SMILES | C1=CC2=NC=CN=C2C=C1C(=O)O |
| Synonym | 6-quinoxalinecarboxylic acid,chinoxalin-6-carbonsaeure,quinoxaline-6-carboxylicacid,pubchem15419,quinoxaline-6-carboxylic acid |
| IUPAC Name | quinoxaline-6-carboxylic acid |
| InChI Key | JGQDBVXRYDEWGM-UHFFFAOYSA-N |
| Molecular Formula | C9H6N2O2 |
Isopentyl butyrate, 98%
CAS: 106-27-4 Molecular Formula: C9H18O2 Molecular Weight (g/mol): 158.24 MDL Number: MFCD00044888 InChI Key: PQLMXFQTAMDXIZ-UHFFFAOYSA-N Synonym: isoamyl butyrate,isopentyl butyrate,isopentyl butanoate,isoamyl butanoate,butanoic acid, 3-methylbutyl ester,3-methylbutyl butyrate,butyric acid, isopentyl ester,isoamyl-n-butyrate,isopentyl alcohol, butyrate,isoamyl butylate PubChem CID: 7795 ChEBI: CHEBI:87422 IUPAC Name: 3-methylbutyl butanoate SMILES: CCCC(=O)OCCC(C)C
| PubChem CID | 7795 |
|---|---|
| CAS | 106-27-4 |
| Molecular Weight (g/mol) | 158.24 |
| ChEBI | CHEBI:87422 |
| MDL Number | MFCD00044888 |
| SMILES | CCCC(=O)OCCC(C)C |
| Synonym | isoamyl butyrate,isopentyl butyrate,isopentyl butanoate,isoamyl butanoate,butanoic acid, 3-methylbutyl ester,3-methylbutyl butyrate,butyric acid, isopentyl ester,isoamyl-n-butyrate,isopentyl alcohol, butyrate,isoamyl butylate |
| IUPAC Name | 3-methylbutyl butanoate |
| InChI Key | PQLMXFQTAMDXIZ-UHFFFAOYSA-N |
| Molecular Formula | C9H18O2 |
3-Cyclopentylpropionic acid, 98%
CAS: 140-77-2 Molecular Formula: C8H14O2 Molecular Weight (g/mol): 142.20 MDL Number: MFCD00001392 InChI Key: ZRPLANDPDWYOMZ-UHFFFAOYSA-N Synonym: 3-cyclopentylpropionic acid,cyclopentanepropanoic acid,cyclopentanepropionic acid,3-cylcopentylpropanoic acid,cyclopentylpropionic acid,propionic acid, 3-cyclopentyl,3-cyclopentyl-propionic acid,cypionic acid,3-cyclopentylpropionicacid,cipionate PubChem CID: 8818 ChEBI: CHEBI:50899 IUPAC Name: 3-cyclopentylpropanoic acid SMILES: OC(=O)CCC1CCCC1
| PubChem CID | 8818 |
|---|---|
| CAS | 140-77-2 |
| Molecular Weight (g/mol) | 142.20 |
| ChEBI | CHEBI:50899 |
| MDL Number | MFCD00001392 |
| SMILES | OC(=O)CCC1CCCC1 |
| Synonym | 3-cyclopentylpropionic acid,cyclopentanepropanoic acid,cyclopentanepropionic acid,3-cylcopentylpropanoic acid,cyclopentylpropionic acid,propionic acid, 3-cyclopentyl,3-cyclopentyl-propionic acid,cypionic acid,3-cyclopentylpropionicacid,cipionate |
| IUPAC Name | 3-cyclopentylpropanoic acid |
| InChI Key | ZRPLANDPDWYOMZ-UHFFFAOYSA-N |
| Molecular Formula | C8H14O2 |
tert-Butyl pivalate, 98%
CAS: 16474-43-4 Molecular Formula: C9H18O2 Molecular Weight (g/mol): 158.24 MDL Number: MFCD01861974 InChI Key: VXHFNALHLRWIIU-UHFFFAOYSA-N PubChem CID: 519272 IUPAC Name: tert-butyl 2,2-dimethylpropanoate SMILES: CC(C)(C)OC(=O)C(C)(C)C
| PubChem CID | 519272 |
|---|---|
| CAS | 16474-43-4 |
| Molecular Weight (g/mol) | 158.24 |
| MDL Number | MFCD01861974 |
| SMILES | CC(C)(C)OC(=O)C(C)(C)C |
| IUPAC Name | tert-butyl 2,2-dimethylpropanoate |
| InChI Key | VXHFNALHLRWIIU-UHFFFAOYSA-N |
| Molecular Formula | C9H18O2 |
Ethyl cyanoformate, 99%
CAS: 623-49-4 Molecular Formula: C4H5NO2 Molecular Weight (g/mol): 99.09 MDL Number: MFCD00001836 InChI Key: MSMGXWFHBSCQFB-UHFFFAOYSA-N Synonym: carbonocyanidic acid, ethyl ester,ethyl carbonocyanidate,2-ethoxy-2-oxoacetonitrile,cyanoformic acid ethyl ester,ethyl carbonocyanidoate,formic acid, cyano-, ethyl ester,cyanocarbonyloxyethane,ethylcyanidocarbonat,ethyl cyanoformate,ethyl cyanocarbonate PubChem CID: 69336 IUPAC Name: ethyl cyanoformate SMILES: CCOC(=O)C#N
| PubChem CID | 69336 |
|---|---|
| CAS | 623-49-4 |
| Molecular Weight (g/mol) | 99.09 |
| MDL Number | MFCD00001836 |
| SMILES | CCOC(=O)C#N |
| Synonym | carbonocyanidic acid, ethyl ester,ethyl carbonocyanidate,2-ethoxy-2-oxoacetonitrile,cyanoformic acid ethyl ester,ethyl carbonocyanidoate,formic acid, cyano-, ethyl ester,cyanocarbonyloxyethane,ethylcyanidocarbonat,ethyl cyanoformate,ethyl cyanocarbonate |
| IUPAC Name | ethyl cyanoformate |
| InChI Key | MSMGXWFHBSCQFB-UHFFFAOYSA-N |
| Molecular Formula | C4H5NO2 |
3-Indoxyl acetate, 97%
CAS: 608-08-2 Molecular Formula: C10H9NO2 Molecular Weight (g/mol): 175.187 MDL Number: MFCD00014561 InChI Key: JBOPQACSHPPKEP-UHFFFAOYSA-N Synonym: 3-acetoxyindole,indoxyl acetate,3-indoxyl acetate,indoxyl-o-acetate,3-indolyl acetate,indole, 3-acetato,indoxylacetate,1h-indol-3-ol, 3-acetate,1h-indol-3-ol, acetate ester,acetic acid, 3-indolyl ester PubChem CID: 11841 IUPAC Name: 1H-indol-3-yl acetate SMILES: CC(=O)OC1=CNC2=CC=CC=C21
| PubChem CID | 11841 |
|---|---|
| CAS | 608-08-2 |
| Molecular Weight (g/mol) | 175.187 |
| MDL Number | MFCD00014561 |
| SMILES | CC(=O)OC1=CNC2=CC=CC=C21 |
| Synonym | 3-acetoxyindole,indoxyl acetate,3-indoxyl acetate,indoxyl-o-acetate,3-indolyl acetate,indole, 3-acetato,indoxylacetate,1h-indol-3-ol, 3-acetate,1h-indol-3-ol, acetate ester,acetic acid, 3-indolyl ester |
| IUPAC Name | 1H-indol-3-yl acetate |
| InChI Key | JBOPQACSHPPKEP-UHFFFAOYSA-N |
| Molecular Formula | C10H9NO2 |
1,3-Dimethyl-1H-pyrazole-5-carboxylic acid, 97%, Thermo Scientific™
CAS: 5744-56-9 Molecular Formula: C6H8N2O2 Molecular Weight (g/mol): 140.14 MDL Number: MFCD00159636 InChI Key: QRWZFUBHOQWUGH-UHFFFAOYSA-N Synonym: 1,3-dimethyl-1h-pyrazole-5-carboxylic acid,1,3-dimethylpyrazole-5-carboxylic acid,2,5-dimethyl-2h-pyrazole-3-carboxylic acid,1h-pyrazole-5-carboxylic acid, 1,3-dimethyl,1,3-dimethylpyrazole-5-carboxylicacid,pubchem7839,ksc269g2l,1,3-dimethylpyrazol-5-carboxylic acid,pyrazole-5-carboxylic acid, 1,3-dmethyl,1h-pyrazole-5-carboxylicacid, 1,3-dimethyl PubChem CID: 587721 IUPAC Name: 2,5-dimethylpyrazole-3-carboxylic acid SMILES: CN1N=C(C)C=C1C(O)=O
| PubChem CID | 587721 |
|---|---|
| CAS | 5744-56-9 |
| Molecular Weight (g/mol) | 140.14 |
| MDL Number | MFCD00159636 |
| SMILES | CN1N=C(C)C=C1C(O)=O |
| Synonym | 1,3-dimethyl-1h-pyrazole-5-carboxylic acid,1,3-dimethylpyrazole-5-carboxylic acid,2,5-dimethyl-2h-pyrazole-3-carboxylic acid,1h-pyrazole-5-carboxylic acid, 1,3-dimethyl,1,3-dimethylpyrazole-5-carboxylicacid,pubchem7839,ksc269g2l,1,3-dimethylpyrazol-5-carboxylic acid,pyrazole-5-carboxylic acid, 1,3-dmethyl,1h-pyrazole-5-carboxylicacid, 1,3-dimethyl |
| IUPAC Name | 2,5-dimethylpyrazole-3-carboxylic acid |
| InChI Key | QRWZFUBHOQWUGH-UHFFFAOYSA-N |
| Molecular Formula | C6H8N2O2 |
TraceCERT™ EPA Phthalate Esters Mix, 2000 μg/mL, Certified Reference Material, MilliporeSigma™ Supelco™
This certified reference material (CRM) is produced and certified in accordance with ISO/IEC 17025 and ISO 17034. This CRM is traceable to the SI through a primary reference material from a NMI. Certified content incl. uncertainty and expiry date are stated on the enclosed certificate.