Organic acids and derivatives
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3-Benzalbutyramide 98.0+%, TCI America™
CAS: 7236-47-7 Molecular Formula: C11H13NO Molecular Weight (g/mol): 175.23 MDL Number: MFCD00059860 InChI Key: KAJZGRFYZKWYDX-VQHVLOKHSA-N Synonym: 3-Benzylidenebutyramide PubChem CID: 5371849 IUPAC Name: (3E)-3-methyl-4-phenylbut-3-enamide SMILES: C\C(CC(N)=O)=C/C1=CC=CC=C1
| PubChem CID | 5371849 |
|---|---|
| CAS | 7236-47-7 |
| Molecular Weight (g/mol) | 175.23 |
| MDL Number | MFCD00059860 |
| SMILES | C\C(CC(N)=O)=C/C1=CC=CC=C1 |
| Synonym | 3-Benzylidenebutyramide |
| IUPAC Name | (3E)-3-methyl-4-phenylbut-3-enamide |
| InChI Key | KAJZGRFYZKWYDX-VQHVLOKHSA-N |
| Molecular Formula | C11H13NO |
4-Phenylbutyric Acid 98.0+%, TCI America™
CAS: 1821-12-1 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.204 MDL Number: MFCD00004403 InChI Key: OBKXEAXTFZPCHS-UHFFFAOYSA-N Synonym: 4-phenylbutyric acid,benzenebutanoic acid,benzenebutyric acid,phenylbutyrate,gamma-phenylbutyric acid,omega-phenylbutanoic acid,phenylbutyric acid,4-phenylbutyrate,butyric acid, 4-phenyl,4-phenyl-n-butyric acid PubChem CID: 4775 ChEBI: CHEBI:41500 IUPAC Name: 4-phenylbutanoic acid SMILES: C1=CC=C(C=C1)CCCC(=O)O
| PubChem CID | 4775 |
|---|---|
| CAS | 1821-12-1 |
| Molecular Weight (g/mol) | 164.204 |
| ChEBI | CHEBI:41500 |
| MDL Number | MFCD00004403 |
| SMILES | C1=CC=C(C=C1)CCCC(=O)O |
| Synonym | 4-phenylbutyric acid,benzenebutanoic acid,benzenebutyric acid,phenylbutyrate,gamma-phenylbutyric acid,omega-phenylbutanoic acid,phenylbutyric acid,4-phenylbutyrate,butyric acid, 4-phenyl,4-phenyl-n-butyric acid |
| IUPAC Name | 4-phenylbutanoic acid |
| InChI Key | OBKXEAXTFZPCHS-UHFFFAOYSA-N |
| Molecular Formula | C10H12O2 |
Disodium 1,3-Propanedisulfonate 97.0+%, TCI America™
CAS: 36589-58-9 Molecular Formula: C3H6Na2O6S2 Molecular Weight (g/mol): 248.175 MDL Number: MFCD00191483 InChI Key: DKGJFKPIUSHDIT-UHFFFAOYSA-L Synonym: eprodisate disodium,disodium 1,3-propanedisulfonate,kiacta,disodium propane-1,3-disulfonate,eprodisate sodium,unii-5x0d9h16iu,1,3-propanedisulfonic acid disodium salt,eprodisate disodium usan,1,3-propanedisulfonic acid, disodium salt PubChem CID: 6451143 IUPAC Name: disodium;propane-1,3-disulfonate SMILES: C(CS(=O)(=O)[O-])CS(=O)(=O)[O-].[Na+].[Na+]
| PubChem CID | 6451143 |
|---|---|
| CAS | 36589-58-9 |
| Molecular Weight (g/mol) | 248.175 |
| MDL Number | MFCD00191483 |
| SMILES | C(CS(=O)(=O)[O-])CS(=O)(=O)[O-].[Na+].[Na+] |
| Synonym | eprodisate disodium,disodium 1,3-propanedisulfonate,kiacta,disodium propane-1,3-disulfonate,eprodisate sodium,unii-5x0d9h16iu,1,3-propanedisulfonic acid disodium salt,eprodisate disodium usan,1,3-propanedisulfonic acid, disodium salt |
| IUPAC Name | disodium;propane-1,3-disulfonate |
| InChI Key | DKGJFKPIUSHDIT-UHFFFAOYSA-L |
| Molecular Formula | C3H6Na2O6S2 |
Bis(phenylacetyl) Disulfide 98.0+%, TCI America™
CAS: 15088-78-5 Molecular Formula: C16H14O2S2 Molecular Weight (g/mol): 302.41 MDL Number: MFCD00513572 InChI Key: IXGZXXBJSZISOO-UHFFFAOYSA-N Synonym: phenylacetyl disulfide,2-phenylacetic dithioperoxyanhydride,phenylacetyl disulphide,bis phenylacetyl disulfide,bis phenylacetyl disulphide,2-phenyl-1-2-phenylacetyl disulfanyl ethanone,bis phenylacetyl persulfide,phenylacetyl disulfide 5g,s-2-phenylacetyl sulfanyl 2-phenylethanethioate PubChem CID: 3378603 IUPAC Name: 2-phenyl-1-[(2-phenylacetyl)disulfanyl]ethan-1-one SMILES: O=C(CC1=CC=CC=C1)SSC(=O)CC1=CC=CC=C1
| PubChem CID | 3378603 |
|---|---|
| CAS | 15088-78-5 |
| Molecular Weight (g/mol) | 302.41 |
| MDL Number | MFCD00513572 |
| SMILES | O=C(CC1=CC=CC=C1)SSC(=O)CC1=CC=CC=C1 |
| Synonym | phenylacetyl disulfide,2-phenylacetic dithioperoxyanhydride,phenylacetyl disulphide,bis phenylacetyl disulfide,bis phenylacetyl disulphide,2-phenyl-1-2-phenylacetyl disulfanyl ethanone,bis phenylacetyl persulfide,phenylacetyl disulfide 5g,s-2-phenylacetyl sulfanyl 2-phenylethanethioate |
| IUPAC Name | 2-phenyl-1-[(2-phenylacetyl)disulfanyl]ethan-1-one |
| InChI Key | IXGZXXBJSZISOO-UHFFFAOYSA-N |
| Molecular Formula | C16H14O2S2 |
1-Butylhydantoin 98.0+%, TCI America™
CAS: 33599-32-5 Molecular Formula: C7H12N2O2 Molecular Weight (g/mol): 156.185 MDL Number: MFCD00142674 InChI Key: NOHNSECEKFOVGT-UHFFFAOYSA-N Synonym: 1-Butyl-2,4-dioxoimidazolidine PubChem CID: 118506 IUPAC Name: 1-butylimidazolidine-2,4-dione SMILES: CCCCN1CC(=O)NC1=O
| PubChem CID | 118506 |
|---|---|
| CAS | 33599-32-5 |
| Molecular Weight (g/mol) | 156.185 |
| MDL Number | MFCD00142674 |
| SMILES | CCCCN1CC(=O)NC1=O |
| Synonym | 1-Butyl-2,4-dioxoimidazolidine |
| IUPAC Name | 1-butylimidazolidine-2,4-dione |
| InChI Key | NOHNSECEKFOVGT-UHFFFAOYSA-N |
| Molecular Formula | C7H12N2O2 |
Ethyl trans-4-Decenoate 98.0+%, TCI America™
CAS: 76649-16-6 Molecular Formula: C12H22O2 Molecular Weight (g/mol): 198.31 MDL Number: MFCD00015574 InChI Key: AWNIQMQADACLCJ-CMDGGOBGSA-N Synonym: ethyl trans-4-decenoate,ethyl e-4-decenoate,ethyl 4-decenoate,4-decenoic acid, ethyl ester, e,ethyl 4e-decenoate,fema no. 3642,ethyl 4e-dec-4-enoate,ethyl trans-dec-4-enoate,ethyl e-dec-4-enoate,ethyl 4e-4-decenoate PubChem CID: 5362583 IUPAC Name: ethyl (4E)-dec-4-enoate SMILES: CCCCC\C=C\CCC(=O)OCC
| PubChem CID | 5362583 |
|---|---|
| CAS | 76649-16-6 |
| Molecular Weight (g/mol) | 198.31 |
| MDL Number | MFCD00015574 |
| SMILES | CCCCC\C=C\CCC(=O)OCC |
| Synonym | ethyl trans-4-decenoate,ethyl e-4-decenoate,ethyl 4-decenoate,4-decenoic acid, ethyl ester, e,ethyl 4e-decenoate,fema no. 3642,ethyl 4e-dec-4-enoate,ethyl trans-dec-4-enoate,ethyl e-dec-4-enoate,ethyl 4e-4-decenoate |
| IUPAC Name | ethyl (4E)-dec-4-enoate |
| InChI Key | AWNIQMQADACLCJ-CMDGGOBGSA-N |
| Molecular Formula | C12H22O2 |
4,5-Dicarboxy-gamma-pentadecanolactone 98.0+%, TCI America™
CAS: 469-77-2 Molecular Formula: C17H28O6 Molecular Weight (g/mol): 328.405 MDL Number: MFCD00059059 InChI Key: TUXHHVJPGQUPCF-SUMWQHHRSA-N Synonym: Spiculisporic Acid PubChem CID: 95228527 IUPAC Name: (2R)-2-[(1R)-1-carboxyundecyl]-5-oxooxolane-2-carboxylic acid SMILES: CCCCCCCCCCC(C(=O)O)C1(CCC(=O)O1)C(=O)O
| PubChem CID | 95228527 |
|---|---|
| CAS | 469-77-2 |
| Molecular Weight (g/mol) | 328.405 |
| MDL Number | MFCD00059059 |
| SMILES | CCCCCCCCCCC(C(=O)O)C1(CCC(=O)O1)C(=O)O |
| Synonym | Spiculisporic Acid |
| IUPAC Name | (2R)-2-[(1R)-1-carboxyundecyl]-5-oxooxolane-2-carboxylic acid |
| InChI Key | TUXHHVJPGQUPCF-SUMWQHHRSA-N |
| Molecular Formula | C17H28O6 |
Disodium 1,4-Butanedisulfonate 98.0+%, TCI America™
CAS: 36589-61-4 Molecular Formula: C4H8Na2O6S2 Molecular Weight (g/mol): 262.20 MDL Number: MFCD00059839 InChI Key: LEUIUWYZAHKPSE-UHFFFAOYSA-L Synonym: 1,4-Butanedisulfonic Acid Disodium Salt PubChem CID: 119021 IUPAC Name: disodium butane-1,4-disulfonate SMILES: [Na+].[Na+].[O-]S(=O)(=O)CCCCS([O-])(=O)=O
| PubChem CID | 119021 |
|---|---|
| CAS | 36589-61-4 |
| Molecular Weight (g/mol) | 262.20 |
| MDL Number | MFCD00059839 |
| SMILES | [Na+].[Na+].[O-]S(=O)(=O)CCCCS([O-])(=O)=O |
| Synonym | 1,4-Butanedisulfonic Acid Disodium Salt |
| IUPAC Name | disodium butane-1,4-disulfonate |
| InChI Key | LEUIUWYZAHKPSE-UHFFFAOYSA-L |
| Molecular Formula | C4H8Na2O6S2 |
3-Butenyl Acetate 98.0+%, TCI America™
CAS: 1576-84-7 Molecular Formula: C6H10O2 Molecular Weight (g/mol): 114.144 MDL Number: MFCD00086596 InChI Key: IEKXSSZASGLISC-UHFFFAOYSA-N Synonym: 4-Acetoxy-1-butene, Acetic Acid 3-Butenyl Ester PubChem CID: 74095 IUPAC Name: but-3-enyl acetate SMILES: CC(=O)OCCC=C
| PubChem CID | 74095 |
|---|---|
| CAS | 1576-84-7 |
| Molecular Weight (g/mol) | 114.144 |
| MDL Number | MFCD00086596 |
| SMILES | CC(=O)OCCC=C |
| Synonym | 4-Acetoxy-1-butene, Acetic Acid 3-Butenyl Ester |
| IUPAC Name | but-3-enyl acetate |
| InChI Key | IEKXSSZASGLISC-UHFFFAOYSA-N |
| Molecular Formula | C6H10O2 |
Pyridine-2,3-dicarboxamide 98.0+%, TCI America™
CAS: 4663-94-9 Molecular Formula: C7H7N3O2 Molecular Weight (g/mol): 165.152 MDL Number: MFCD00191488 InChI Key: CJVCXRMYJNMDTP-UHFFFAOYSA-N PubChem CID: 578921 IUPAC Name: pyridine-2,3-dicarboxamide SMILES: C1=CC(=C(N=C1)C(=O)N)C(=O)N
| PubChem CID | 578921 |
|---|---|
| CAS | 4663-94-9 |
| Molecular Weight (g/mol) | 165.152 |
| MDL Number | MFCD00191488 |
| SMILES | C1=CC(=C(N=C1)C(=O)N)C(=O)N |
| IUPAC Name | pyridine-2,3-dicarboxamide |
| InChI Key | CJVCXRMYJNMDTP-UHFFFAOYSA-N |
| Molecular Formula | C7H7N3O2 |
1,3-Propanedisulfonic Acid (50-60% in Water), TCI America™
CAS: 21668-77-9 Molecular Formula: C3H6O6S2 Molecular Weight (g/mol): 202.20 MDL Number: MFCD00191482 InChI Key: MGNVWUDMMXZUDI-UHFFFAOYSA-L Synonym: 1,3-propanedisulfonic acid,eprodisate,1,3-propanedisulfonic acid in water,unii-6qfp76v7s7,propane-1,3-disulfonate,eprodisate inn,1,3-propanesulfonic acid,1,3-propanedisulfonicacid,1,3-propanedisulphonic acid,1,3 propanesulfonate PubChem CID: 428573 IUPAC Name: propane-1,3-disulfonate SMILES: [O-]S(=O)(=O)CCCS([O-])(=O)=O
| PubChem CID | 428573 |
|---|---|
| CAS | 21668-77-9 |
| Molecular Weight (g/mol) | 202.20 |
| MDL Number | MFCD00191482 |
| SMILES | [O-]S(=O)(=O)CCCS([O-])(=O)=O |
| Synonym | 1,3-propanedisulfonic acid,eprodisate,1,3-propanedisulfonic acid in water,unii-6qfp76v7s7,propane-1,3-disulfonate,eprodisate inn,1,3-propanesulfonic acid,1,3-propanedisulfonicacid,1,3-propanedisulphonic acid,1,3 propanesulfonate |
| IUPAC Name | propane-1,3-disulfonate |
| InChI Key | MGNVWUDMMXZUDI-UHFFFAOYSA-L |
| Molecular Formula | C3H6O6S2 |
Cyclohexyl Acetate 99.0+%, TCI America™
CAS: 622-45-7 Molecular Formula: C8H14O2 Molecular Weight (g/mol): 142.198 MDL Number: MFCD00003850 InChI Key: YYLLIJHXUHJATK-UHFFFAOYSA-N Synonym: acetic acid, cyclohexyl ester,hexalin acetate,cyclohexanyl acetate,cyclohexanol, acetate,cyclohexanolazetat,adronal acetate,acetic acid cyclohexyl ester,cyclohexane acetate,cyclohexylester kyseliny octove,unii-ul0rs4h1ue PubChem CID: 12146 ChEBI: CHEBI:31447 IUPAC Name: cyclohexyl acetate SMILES: CC(=O)OC1CCCCC1
| PubChem CID | 12146 |
|---|---|
| CAS | 622-45-7 |
| Molecular Weight (g/mol) | 142.198 |
| ChEBI | CHEBI:31447 |
| MDL Number | MFCD00003850 |
| SMILES | CC(=O)OC1CCCCC1 |
| Synonym | acetic acid, cyclohexyl ester,hexalin acetate,cyclohexanyl acetate,cyclohexanol, acetate,cyclohexanolazetat,adronal acetate,acetic acid cyclohexyl ester,cyclohexane acetate,cyclohexylester kyseliny octove,unii-ul0rs4h1ue |
| IUPAC Name | cyclohexyl acetate |
| InChI Key | YYLLIJHXUHJATK-UHFFFAOYSA-N |
| Molecular Formula | C8H14O2 |
Hexyl Acetate 99.0+%, TCI America™
CAS: 142-92-7 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.214 MDL Number: MFCD00009524 InChI Key: AOGQPLXWSUTHQB-UHFFFAOYSA-N Synonym: n-hexyl acetate,1-hexyl acetate,hexyl ethanoate,acetic acid hexyl ester,n-hexyl ethanoate,acetic acid, hexyl ester,hexyl alcohol, acetate,l-hexyl acetate,fema no. 2565,natural PubChem CID: 8908 ChEBI: CHEBI:87510 IUPAC Name: hexyl acetate SMILES: CCCCCCOC(=O)C
| PubChem CID | 8908 |
|---|---|
| CAS | 142-92-7 |
| Molecular Weight (g/mol) | 144.214 |
| ChEBI | CHEBI:87510 |
| MDL Number | MFCD00009524 |
| SMILES | CCCCCCOC(=O)C |
| Synonym | n-hexyl acetate,1-hexyl acetate,hexyl ethanoate,acetic acid hexyl ester,n-hexyl ethanoate,acetic acid, hexyl ester,hexyl alcohol, acetate,l-hexyl acetate,fema no. 2565,natural |
| IUPAC Name | hexyl acetate |
| InChI Key | AOGQPLXWSUTHQB-UHFFFAOYSA-N |
| Molecular Formula | C8H16O2 |
1-Naphthyl Acetate 99.0+%, TCI America™
CAS: 830-81-9 Molecular Formula: C12H10O2 Molecular Weight (g/mol): 186.21 MDL Number: MFCD00003922 InChI Key: VGKONPUVOVVNSU-UHFFFAOYSA-N Synonym: 1-naphthyl acetate,1-acetoxynaphthalene,alpha-naphthyl acetate,1-naphthol, acetate,a-naphthyl acetate,naphthyl acetate,naphthalene, 1-acetoxy,1-naphthalenol, acetate,acetic acid 1-naphthyl ester,alpha-naphthol acetate PubChem CID: 13247 IUPAC Name: naphthalen-1-yl acetate SMILES: CC(=O)OC1=CC=CC2=CC=CC=C21
| PubChem CID | 13247 |
|---|---|
| CAS | 830-81-9 |
| Molecular Weight (g/mol) | 186.21 |
| MDL Number | MFCD00003922 |
| SMILES | CC(=O)OC1=CC=CC2=CC=CC=C21 |
| Synonym | 1-naphthyl acetate,1-acetoxynaphthalene,alpha-naphthyl acetate,1-naphthol, acetate,a-naphthyl acetate,naphthyl acetate,naphthalene, 1-acetoxy,1-naphthalenol, acetate,acetic acid 1-naphthyl ester,alpha-naphthol acetate |
| IUPAC Name | naphthalen-1-yl acetate |
| InChI Key | VGKONPUVOVVNSU-UHFFFAOYSA-N |
| Molecular Formula | C12H10O2 |
Bis(2,2,2-trifluoroethyl) (Methoxycarbonylmethyl)phosphonate 95.0+%, TCI America™
CAS: 88738-78-7 Molecular Formula: C7H9F6O5P Molecular Weight (g/mol): 318.108 MDL Number: MFCD00009901 InChI Key: PVSJXEDBEXYLML-UHFFFAOYSA-N Synonym: methyl 2-bis 2,2,2-trifluoroethoxy phosphoryl acetate,bis 2,2,2-trifluoroethyl methoxycarbonylmethyl phosphonate,methyl bis 2,2,2-trifluoroethyl phosphonoacetate,bis 2,2,2-trifluoroethyl phosphonoacetic acid methyl ester,methyl bis 2,2,2-trifluoroethoxy phosphoryl acetate,methyl p,p-bis 2,2,2-trifluoroethyl phosphonoacetate,acetic acid, bis 2,2,2-trifluoroethoxy phosphinyl-, methyl ester,acmc-209qx4 PubChem CID: 184894 IUPAC Name: methyl 2-[bis(2,2,2-trifluoroethoxy)phosphoryl]acetate SMILES: COC(=O)CP(=O)(OCC(F)(F)F)OCC(F)(F)F
| PubChem CID | 184894 |
|---|---|
| CAS | 88738-78-7 |
| Molecular Weight (g/mol) | 318.108 |
| MDL Number | MFCD00009901 |
| SMILES | COC(=O)CP(=O)(OCC(F)(F)F)OCC(F)(F)F |
| Synonym | methyl 2-bis 2,2,2-trifluoroethoxy phosphoryl acetate,bis 2,2,2-trifluoroethyl methoxycarbonylmethyl phosphonate,methyl bis 2,2,2-trifluoroethyl phosphonoacetate,bis 2,2,2-trifluoroethyl phosphonoacetic acid methyl ester,methyl bis 2,2,2-trifluoroethoxy phosphoryl acetate,methyl p,p-bis 2,2,2-trifluoroethyl phosphonoacetate,acetic acid, bis 2,2,2-trifluoroethoxy phosphinyl-, methyl ester,acmc-209qx4 |
| IUPAC Name | methyl 2-[bis(2,2,2-trifluoroethoxy)phosphoryl]acetate |
| InChI Key | PVSJXEDBEXYLML-UHFFFAOYSA-N |
| Molecular Formula | C7H9F6O5P |