Organic acids and derivatives
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sec-Butyl Butyrate 98.0+%, TCI America™
CAS: 819-97-6 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.21 MDL Number: MFCD15072150 InChI Key: QJHDFBAAFGELLO-UHFFFAOYNA-N Synonym: Butyric Acid sec-Butyl Ester PubChem CID: 13174 ChEBI: CHEBI:87318 IUPAC Name: butan-2-yl butanoate SMILES: CCCC(=O)OC(C)CC
| PubChem CID | 13174 |
|---|---|
| CAS | 819-97-6 |
| Molecular Weight (g/mol) | 144.21 |
| ChEBI | CHEBI:87318 |
| MDL Number | MFCD15072150 |
| SMILES | CCCC(=O)OC(C)CC |
| Synonym | Butyric Acid sec-Butyl Ester |
| IUPAC Name | butan-2-yl butanoate |
| InChI Key | QJHDFBAAFGELLO-UHFFFAOYNA-N |
| Molecular Formula | C8H16O2 |
Syringic Acid 97.0+%, TCI America™
CAS: 530-57-4 Molecular Formula: C9H10O5 Molecular Weight (g/mol): 198.17 MDL Number: MFCD00002552 InChI Key: JMSVCTWVEWCHDZ-UHFFFAOYSA-N Synonym: syringic acid,3,5-dimethoxy-4-hydroxybenzoic acid,cedar acid,gallic acid 3,5-dimethyl ether,benzoic acid, 4-hydroxy-3,5-dimethoxy,3,5-dimethoxy-4-hydroxybenzyl acid,4-hydroxy-3,5-dimethoxy-benzoic acid,chembl1414,syringicacid,syringlicacid PubChem CID: 10742 ChEBI: CHEBI:68329 IUPAC Name: 4-hydroxy-3,5-dimethoxybenzoic acid SMILES: COC1=CC(=CC(OC)=C1O)C(O)=O
| PubChem CID | 10742 |
|---|---|
| CAS | 530-57-4 |
| Molecular Weight (g/mol) | 198.17 |
| ChEBI | CHEBI:68329 |
| MDL Number | MFCD00002552 |
| SMILES | COC1=CC(=CC(OC)=C1O)C(O)=O |
| Synonym | syringic acid,3,5-dimethoxy-4-hydroxybenzoic acid,cedar acid,gallic acid 3,5-dimethyl ether,benzoic acid, 4-hydroxy-3,5-dimethoxy,3,5-dimethoxy-4-hydroxybenzyl acid,4-hydroxy-3,5-dimethoxy-benzoic acid,chembl1414,syringicacid,syringlicacid |
| IUPAC Name | 4-hydroxy-3,5-dimethoxybenzoic acid |
| InChI Key | JMSVCTWVEWCHDZ-UHFFFAOYSA-N |
| Molecular Formula | C9H10O5 |
1H,1H,5H-Octafluoropentyl Acrylate (stabilized with MEHQ) 97.0+%, TCI America™
CAS: 376-84-1 Molecular Formula: C8H6F8O2 Molecular Weight (g/mol): 286.121 InChI Key: WISUNKZXQSKYMR-UHFFFAOYSA-N Synonym: 1h,1h,5h-octafluoropentyl acrylate,2,2,3,3,4,4,5,5-octafluoropentyl acrylate,2-propenoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester,acrylic acid 1h,1h,5h-octafluoropentyl ester,wisunkzxqskymr-uhfffaoysa,2,2,3,3,4,4,5,5-octafluoropentylacrylate,acrylic acid=2,2,3,3,4,4,5,5-octafluoropentyl ester,1h,1h,5h-octafluoropentyl acrylate stabilized with mehq,2-propenoic acid,2,2,3,3,4,4,5,5-octafluoropentyl ester,2,2,3,3,4,4,5,5-octafluoropentyl acrylate, contains 100 ppm monomethyl ether hydroquinone as inhibitor PubChem CID: 67829 IUPAC Name: 2,2,3,3,4,4,5,5-octafluoropentyl prop-2-enoate SMILES: C=CC(=O)OCC(C(C(C(F)F)(F)F)(F)F)(F)F
| PubChem CID | 67829 |
|---|---|
| CAS | 376-84-1 |
| Molecular Weight (g/mol) | 286.121 |
| SMILES | C=CC(=O)OCC(C(C(C(F)F)(F)F)(F)F)(F)F |
| Synonym | 1h,1h,5h-octafluoropentyl acrylate,2,2,3,3,4,4,5,5-octafluoropentyl acrylate,2-propenoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester,acrylic acid 1h,1h,5h-octafluoropentyl ester,wisunkzxqskymr-uhfffaoysa,2,2,3,3,4,4,5,5-octafluoropentylacrylate,acrylic acid=2,2,3,3,4,4,5,5-octafluoropentyl ester,1h,1h,5h-octafluoropentyl acrylate stabilized with mehq,2-propenoic acid,2,2,3,3,4,4,5,5-octafluoropentyl ester,2,2,3,3,4,4,5,5-octafluoropentyl acrylate, contains 100 ppm monomethyl ether hydroquinone as inhibitor |
| IUPAC Name | 2,2,3,3,4,4,5,5-octafluoropentyl prop-2-enoate |
| InChI Key | WISUNKZXQSKYMR-UHFFFAOYSA-N |
| Molecular Formula | C8H6F8O2 |
Propyl Butyrate 98.0+%, TCI America™
CAS: 105-66-8 Molecular Formula: C7H14O2 Molecular Weight (g/mol): 130.187 MDL Number: MFCD00009396 InChI Key: HUAZGNHGCJGYNP-UHFFFAOYSA-N Synonym: propyl butyrate,butanoic acid, propyl ester,propyl n-butyrate,butyric acid, propyl ester,1-propyl butyrate,n-propyl butyrate,n-propyl n-butyrate,n-propyl-n-butanoate,n-butyric acid n-propyl ester,butyric acid propyl ester PubChem CID: 7770 IUPAC Name: propyl butanoate SMILES: CCCC(=O)OCCC
| PubChem CID | 7770 |
|---|---|
| CAS | 105-66-8 |
| Molecular Weight (g/mol) | 130.187 |
| MDL Number | MFCD00009396 |
| SMILES | CCCC(=O)OCCC |
| Synonym | propyl butyrate,butanoic acid, propyl ester,propyl n-butyrate,butyric acid, propyl ester,1-propyl butyrate,n-propyl butyrate,n-propyl n-butyrate,n-propyl-n-butanoate,n-butyric acid n-propyl ester,butyric acid propyl ester |
| IUPAC Name | propyl butanoate |
| InChI Key | HUAZGNHGCJGYNP-UHFFFAOYSA-N |
| Molecular Formula | C7H14O2 |
N,N'-Diacetylglycine Anhydride 98.0+%, TCI America™
CAS: 3027-05-2 Molecular Formula: C8H10N2O4 Molecular Weight (g/mol): 198.18 MDL Number: MFCD00059789 InChI Key: CBBKKVPJPRZOCM-UHFFFAOYSA-N Synonym: 1,4-Diacetyl-2,5-diketopiperazine, 1,4-Diacetyl-2,5-dioxopiperazine, 1,4-Diacetyl-2,5-piperazinedione PubChem CID: 540371 IUPAC Name: 1,4-diacetylpiperazine-2,5-dione SMILES: CC(=O)N1CC(=O)N(CC1=O)C(=O)C
| PubChem CID | 540371 |
|---|---|
| CAS | 3027-05-2 |
| Molecular Weight (g/mol) | 198.18 |
| MDL Number | MFCD00059789 |
| SMILES | CC(=O)N1CC(=O)N(CC1=O)C(=O)C |
| Synonym | 1,4-Diacetyl-2,5-diketopiperazine, 1,4-Diacetyl-2,5-dioxopiperazine, 1,4-Diacetyl-2,5-piperazinedione |
| IUPAC Name | 1,4-diacetylpiperazine-2,5-dione |
| InChI Key | CBBKKVPJPRZOCM-UHFFFAOYSA-N |
| Molecular Formula | C8H10N2O4 |
(2-Carboxyethyl)phenylphosphinic Acid 98.0+%, TCI America™
CAS: 14657-64-8 Molecular Formula: C9H11O4P Molecular Weight (g/mol): 214.157 MDL Number: MFCD08704562 InChI Key: MORLYCDUFHDZKO-UHFFFAOYSA-N PubChem CID: 11287340 IUPAC Name: 3-[hydroxy(phenyl)phosphoryl]propanoic acid SMILES: C1=CC=C(C=C1)P(=O)(CCC(=O)O)O
| PubChem CID | 11287340 |
|---|---|
| CAS | 14657-64-8 |
| Molecular Weight (g/mol) | 214.157 |
| MDL Number | MFCD08704562 |
| SMILES | C1=CC=C(C=C1)P(=O)(CCC(=O)O)O |
| IUPAC Name | 3-[hydroxy(phenyl)phosphoryl]propanoic acid |
| InChI Key | MORLYCDUFHDZKO-UHFFFAOYSA-N |
| Molecular Formula | C9H11O4P |
Ethyl Nonanoate 95.0+%, TCI America™
CAS: 123-29-5 Molecular Formula: C11H22O2 Molecular Weight (g/mol): 186.30 MDL Number: MFCD00009570 InChI Key: BYEVBITUADOIGY-UHFFFAOYSA-N Synonym: ethyl pelargonate,nonanoic acid, ethyl ester,ethyl nonylate,wine ether,nonanoic acid ethyl ester,natural,ethyl n-nonanoate,unii-ksh683s98j,fema no. 2447,pelargonic acid ethyl ester PubChem CID: 31251 ChEBI: CHEBI:87501 IUPAC Name: ethyl nonanoate SMILES: CCCCCCCCC(=O)OCC
| PubChem CID | 31251 |
|---|---|
| CAS | 123-29-5 |
| Molecular Weight (g/mol) | 186.30 |
| ChEBI | CHEBI:87501 |
| MDL Number | MFCD00009570 |
| SMILES | CCCCCCCCC(=O)OCC |
| Synonym | ethyl pelargonate,nonanoic acid, ethyl ester,ethyl nonylate,wine ether,nonanoic acid ethyl ester,natural,ethyl n-nonanoate,unii-ksh683s98j,fema no. 2447,pelargonic acid ethyl ester |
| IUPAC Name | ethyl nonanoate |
| InChI Key | BYEVBITUADOIGY-UHFFFAOYSA-N |
| Molecular Formula | C11H22O2 |
(-)-N,N,N',N'-Tetramethyl-D-tartardiamide 98.0+%, TCI America™
CAS: 63126-52-3 Molecular Formula: C8H16N2O4 Molecular Weight (g/mol): 204.23 MDL Number: MFCD00077879 InChI Key: PCYDYHRBODKVEL-WDSKDSINSA-N PubChem CID: 6999257 IUPAC Name: (2S,3S)-2,3-dihydroxy-N,N,N',N'-tetramethylbutanediamide SMILES: CN(C)C(=O)[C@@H](O)[C@H](O)C(=O)N(C)C
| PubChem CID | 6999257 |
|---|---|
| CAS | 63126-52-3 |
| Molecular Weight (g/mol) | 204.23 |
| MDL Number | MFCD00077879 |
| SMILES | CN(C)C(=O)[C@@H](O)[C@H](O)C(=O)N(C)C |
| IUPAC Name | (2S,3S)-2,3-dihydroxy-N,N,N',N'-tetramethylbutanediamide |
| InChI Key | PCYDYHRBODKVEL-WDSKDSINSA-N |
| Molecular Formula | C8H16N2O4 |
Diethylenetriaminepentaacetic Acid Calcium Trisodium Salt Hydrate 98.0+%, TCI America™
CAS: 207226-35-5 Molecular Formula: C14H20CaN3Na3O11 Molecular Weight (g/mol): 515.37 MDL Number: MFCD00150947 InChI Key: AWBWYUNJDQLQGT-UHFFFAOYSA-I Synonym: Calcium Trisodium Diethylenetriaminepentaacetate PubChem CID: 17749130 IUPAC Name: calcium trisodium 2-[bis({2-[bis(carboxylatomethyl)amino]ethyl})amino]acetate hydrate SMILES: O.[Na+].[Na+].[Na+].[Ca++].[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CCN(CC([O-])=O)CC([O-])=O
| PubChem CID | 17749130 |
|---|---|
| CAS | 207226-35-5 |
| Molecular Weight (g/mol) | 515.37 |
| MDL Number | MFCD00150947 |
| SMILES | O.[Na+].[Na+].[Na+].[Ca++].[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CCN(CC([O-])=O)CC([O-])=O |
| Synonym | Calcium Trisodium Diethylenetriaminepentaacetate |
| IUPAC Name | calcium trisodium 2-[bis({2-[bis(carboxylatomethyl)amino]ethyl})amino]acetate hydrate |
| InChI Key | AWBWYUNJDQLQGT-UHFFFAOYSA-I |
| Molecular Formula | C14H20CaN3Na3O11 |
4'-Chloro-N-methylformanilide 98.0+%, TCI America™
CAS: 26772-93-0 Molecular Formula: C8H8ClNO Molecular Weight (g/mol): 169.61 MDL Number: MFCD02093455 InChI Key: XWQPXHSGRKRZPV-UHFFFAOYSA-N Synonym: 4-Chloro-N-formyl-N-methylaniline PubChem CID: 319488 IUPAC Name: N-(4-chlorophenyl)-N-methylformamide SMILES: CN(C=O)C1=CC=C(Cl)C=C1
| PubChem CID | 319488 |
|---|---|
| CAS | 26772-93-0 |
| Molecular Weight (g/mol) | 169.61 |
| MDL Number | MFCD02093455 |
| SMILES | CN(C=O)C1=CC=C(Cl)C=C1 |
| Synonym | 4-Chloro-N-formyl-N-methylaniline |
| IUPAC Name | N-(4-chlorophenyl)-N-methylformamide |
| InChI Key | XWQPXHSGRKRZPV-UHFFFAOYSA-N |
| Molecular Formula | C8H8ClNO |
4-Chloroisatoic Anhydride 98.0+%, TCI America™
CAS: 40928-13-0 Molecular Formula: C8H4ClNO3 Molecular Weight (g/mol): 197.57 MDL Number: MFCD00090431 InChI Key: QRUPDIJQZCABTC-UHFFFAOYSA-N Synonym: 7-Chloro-1,2-dihydro-4H-3,1-benzoxazine-2,4-dione PubChem CID: 329105 IUPAC Name: 7-chloro-2,4-dihydro-1H-3,1-benzoxazine-2,4-dione SMILES: ClC1=CC=C2C(=O)OC(=O)NC2=C1
| PubChem CID | 329105 |
|---|---|
| CAS | 40928-13-0 |
| Molecular Weight (g/mol) | 197.57 |
| MDL Number | MFCD00090431 |
| SMILES | ClC1=CC=C2C(=O)OC(=O)NC2=C1 |
| Synonym | 7-Chloro-1,2-dihydro-4H-3,1-benzoxazine-2,4-dione |
| IUPAC Name | 7-chloro-2,4-dihydro-1H-3,1-benzoxazine-2,4-dione |
| InChI Key | QRUPDIJQZCABTC-UHFFFAOYSA-N |
| Molecular Formula | C8H4ClNO3 |
4-Ethylphenylboronic Acid (contains varying amounts of Anhydride), TCI America™
CAS: 63139-21-9 Molecular Formula: C8H11BO2 Molecular Weight (g/mol): 149.98 MDL Number: MFCD00859377 InChI Key: RZCPLOMUUCFPQA-UHFFFAOYSA-N PubChem CID: 2734352 IUPAC Name: (4-ethylphenyl)boronic acid SMILES: CCC1=CC=C(C=C1)B(O)O
| PubChem CID | 2734352 |
|---|---|
| CAS | 63139-21-9 |
| Molecular Weight (g/mol) | 149.98 |
| MDL Number | MFCD00859377 |
| SMILES | CCC1=CC=C(C=C1)B(O)O |
| IUPAC Name | (4-ethylphenyl)boronic acid |
| InChI Key | RZCPLOMUUCFPQA-UHFFFAOYSA-N |
| Molecular Formula | C8H11BO2 |
Benzyl Cinnamate 98.0+%, TCI America™
CAS: 103-41-3 Molecular Formula: C16H14O2 Molecular Weight (g/mol): 238.29 MDL Number: MFCD00004789,MFCD00004789,MFCD00004789 InChI Key: NGHOLYJTSCBCGC-VAWYXSNFSA-N Synonym: benzyl alcohol cinnamic ester,benzylcinnamate,benzyl alcohol, cinnamate,wln: r1u1vo1r,benzyl .gamma.-phenylacrylate,benzyl cis-cinnamate,benzyl z-cinnamate,2-propenoic acid, 3-phenyl-, phenylmethyl ester,z-benzyl 3-phenylacrylate,cinnamic acid, benzyl ester, z PubChem CID: 15558051 IUPAC Name: benzyl (2E)-3-phenylprop-2-enoate SMILES: O=C(OCC1=CC=CC=C1)\C=C\C1=CC=CC=C1
| PubChem CID | 15558051 |
|---|---|
| CAS | 103-41-3 |
| Molecular Weight (g/mol) | 238.29 |
| MDL Number | MFCD00004789,MFCD00004789,MFCD00004789 |
| SMILES | O=C(OCC1=CC=CC=C1)\C=C\C1=CC=CC=C1 |
| Synonym | benzyl alcohol cinnamic ester,benzylcinnamate,benzyl alcohol, cinnamate,wln: r1u1vo1r,benzyl .gamma.-phenylacrylate,benzyl cis-cinnamate,benzyl z-cinnamate,2-propenoic acid, 3-phenyl-, phenylmethyl ester,z-benzyl 3-phenylacrylate,cinnamic acid, benzyl ester, z |
| IUPAC Name | benzyl (2E)-3-phenylprop-2-enoate |
| InChI Key | NGHOLYJTSCBCGC-VAWYXSNFSA-N |
| Molecular Formula | C16H14O2 |
Diethyl (4-Methylbenzyl)phosphonate 98.0+%, TCI America™
CAS: 3762-25-2 Molecular Formula: C12H19O3P Molecular Weight (g/mol): 242.255 MDL Number: MFCD00041385 InChI Key: QKGBKPZAXXBLJE-UHFFFAOYSA-N Synonym: diethyl 4-methylbenzylphosphonate,diethyl 4-methylbenzyl phosphonate,4-methylbenzyl phosphonic acid diethyl ester,diethyl 4-methylphenyl methylphosphonate,diethoxy 4-methylphenyl methyl phosphino-1-one,acmc-209iuf,diethyl-4-methylbenzylphosphonate,1-diethoxyphosphorylmethyl-4-methylbenzene,phosphonic acid, 4-methylphenyl methyl-, diethyl ester PubChem CID: 3050 IUPAC Name: 1-(diethoxyphosphorylmethyl)-4-methylbenzene SMILES: CCOP(=O)(CC1=CC=C(C=C1)C)OCC
| PubChem CID | 3050 |
|---|---|
| CAS | 3762-25-2 |
| Molecular Weight (g/mol) | 242.255 |
| MDL Number | MFCD00041385 |
| SMILES | CCOP(=O)(CC1=CC=C(C=C1)C)OCC |
| Synonym | diethyl 4-methylbenzylphosphonate,diethyl 4-methylbenzyl phosphonate,4-methylbenzyl phosphonic acid diethyl ester,diethyl 4-methylphenyl methylphosphonate,diethoxy 4-methylphenyl methyl phosphino-1-one,acmc-209iuf,diethyl-4-methylbenzylphosphonate,1-diethoxyphosphorylmethyl-4-methylbenzene,phosphonic acid, 4-methylphenyl methyl-, diethyl ester |
| IUPAC Name | 1-(diethoxyphosphorylmethyl)-4-methylbenzene |
| InChI Key | QKGBKPZAXXBLJE-UHFFFAOYSA-N |
| Molecular Formula | C12H19O3P |
trans-4-Propylcyclohexanecarboxylic Acid 98.0+%, TCI America™
CAS: 38289-27-9 Molecular Formula: C10H18O2 Molecular Weight (g/mol): 170.252 MDL Number: MFCD00059559 InChI Key: QCNUKEGGHOLBES-UHFFFAOYSA-N Synonym: trans-4-propylcyclohexanecarboxylic acid,4-propylcyclohexanecarboxylic acid,trans-4-n-propylcyclohexanecarboxylic acid,1s,4r-4-propylcyclohexane-1-carboxylic acid,propylcyclohexanecarboxylicacid,trans-4-propylcyclohexylcarboxylic acid,4-trans-propyl cyclohexane carboxylic acid,trans-4-n-propyl-cyclohexanecarboxylicacid,trans-4-n-propylcyclohexane carboxylic acid,cyclohexanecarboxylic acid, 4-propyl-, trans PubChem CID: 1490324 IUPAC Name: 4-propylcyclohexane-1-carboxylic acid SMILES: CCCC1CCC(CC1)C(=O)O
| PubChem CID | 1490324 |
|---|---|
| CAS | 38289-27-9 |
| Molecular Weight (g/mol) | 170.252 |
| MDL Number | MFCD00059559 |
| SMILES | CCCC1CCC(CC1)C(=O)O |
| Synonym | trans-4-propylcyclohexanecarboxylic acid,4-propylcyclohexanecarboxylic acid,trans-4-n-propylcyclohexanecarboxylic acid,1s,4r-4-propylcyclohexane-1-carboxylic acid,propylcyclohexanecarboxylicacid,trans-4-propylcyclohexylcarboxylic acid,4-trans-propyl cyclohexane carboxylic acid,trans-4-n-propyl-cyclohexanecarboxylicacid,trans-4-n-propylcyclohexane carboxylic acid,cyclohexanecarboxylic acid, 4-propyl-, trans |
| IUPAC Name | 4-propylcyclohexane-1-carboxylic acid |
| InChI Key | QCNUKEGGHOLBES-UHFFFAOYSA-N |
| Molecular Formula | C10H18O2 |