Organic acids and derivatives
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Sodium 1-decanesulfonate, 99%
CAS: 13419-61-9 Molecular Formula: C10H21NaO3S Molecular Weight (g/mol): 244.325 MDL Number: MFCD00007526 InChI Key: AIMUHNZKNFEZSN-UHFFFAOYSA-M Synonym: sodium decane-1-sulfonate,sodium 1-decanesulfonate,1-decanesulfonic acid sodium salt,1-decanesulfonic acid, sodium salt,decyl sodium sulfonate,sodium decane-1-sulphonate,ipc-alks-10,n-decylsulfonic acid, sodium salt,1-decanesulphonic acid, sodium salt,2-decanesulfonic acid, sodium salt PubChem CID: 2724181 IUPAC Name: sodium;decane-1-sulfonate SMILES: CCCCCCCCCCS(=O)(=O)[O-].[Na+]
| PubChem CID | 2724181 |
|---|---|
| CAS | 13419-61-9 |
| Molecular Weight (g/mol) | 244.325 |
| MDL Number | MFCD00007526 |
| SMILES | CCCCCCCCCCS(=O)(=O)[O-].[Na+] |
| Synonym | sodium decane-1-sulfonate,sodium 1-decanesulfonate,1-decanesulfonic acid sodium salt,1-decanesulfonic acid, sodium salt,decyl sodium sulfonate,sodium decane-1-sulphonate,ipc-alks-10,n-decylsulfonic acid, sodium salt,1-decanesulphonic acid, sodium salt,2-decanesulfonic acid, sodium salt |
| IUPAC Name | sodium;decane-1-sulfonate |
| InChI Key | AIMUHNZKNFEZSN-UHFFFAOYSA-M |
| Molecular Formula | C10H21NaO3S |
3-Hydroxybutyric acid, 95%
CAS: 300-85-6 Molecular Formula: C4H8O3 Molecular Weight (g/mol): 104.11 MDL Number: MFCD00004546 InChI Key: WHBMMWSBFZVSSR-UHFFFAOYSA-N Synonym: 3-hydroxybutyric acid,butanoic acid, 3-hydroxy,beta-hydroxybutyric acid,dl-beta-hydroxybutyric acid,beta-hydroxybuttersaeure,3 hba,3-hydroxybuttersaeure,beta-hydroxy-n-butyric acid,3 hydroxybutyrate,butyric acid, 3-hydroxy PubChem CID: 441 ChEBI: CHEBI:20067 IUPAC Name: 3-hydroxybutanoic acid SMILES: CC(CC(=O)O)O
| PubChem CID | 441 |
|---|---|
| CAS | 300-85-6 |
| Molecular Weight (g/mol) | 104.11 |
| ChEBI | CHEBI:20067 |
| MDL Number | MFCD00004546 |
| SMILES | CC(CC(=O)O)O |
| Synonym | 3-hydroxybutyric acid,butanoic acid, 3-hydroxy,beta-hydroxybutyric acid,dl-beta-hydroxybutyric acid,beta-hydroxybuttersaeure,3 hba,3-hydroxybuttersaeure,beta-hydroxy-n-butyric acid,3 hydroxybutyrate,butyric acid, 3-hydroxy |
| IUPAC Name | 3-hydroxybutanoic acid |
| InChI Key | WHBMMWSBFZVSSR-UHFFFAOYSA-N |
| Molecular Formula | C4H8O3 |
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 |
1,4-Butanediol diacrylate, 85+%, stab. with 50-105 ppm hydroquinone
CAS: 1070-70-8 Molecular Formula: C10H14O4 Molecular Weight (g/mol): 198.22 MDL Number: MFCD00014940 InChI Key: JHWGFJBTMHEZME-UHFFFAOYSA-N Synonym: 1,4-butanediol diacrylate,butylene diacrylate,butanediol diacrylate,tetramethylene glycol diacrylate,1,4-butylene glycol diacrylate,tetramethylene acrylate,tetramethylene diacrylate,1,4-butylene diacrylate,1,4-butanediyl diacrylate,1,4-butanediyl bisacrylate PubChem CID: 70613 SMILES: C=CC(=O)OCCCCOC(=O)C=C
| PubChem CID | 70613 |
|---|---|
| CAS | 1070-70-8 |
| Molecular Weight (g/mol) | 198.22 |
| MDL Number | MFCD00014940 |
| SMILES | C=CC(=O)OCCCCOC(=O)C=C |
| Synonym | 1,4-butanediol diacrylate,butylene diacrylate,butanediol diacrylate,tetramethylene glycol diacrylate,1,4-butylene glycol diacrylate,tetramethylene acrylate,tetramethylene diacrylate,1,4-butylene diacrylate,1,4-butanediyl diacrylate,1,4-butanediyl bisacrylate |
| InChI Key | JHWGFJBTMHEZME-UHFFFAOYSA-N |
| Molecular Formula | C10H14O4 |
Benzeneboronic acid, 98+%
CAS: 98-80-6 Molecular Formula: C6H7BO2 Molecular Weight (g/mol): 121.93 MDL Number: MFCD00002103 InChI Key: HXITXNWTGFUOAU-UHFFFAOYSA-N Synonym: benzeneboronic acid,boronic acid, phenyl,phenyl boronic acid,phenylboric acid,dihydroxyphenylborane,phenyldihydroxyborane,dihydroxy phenyl borane,phenylboronicacid,borophenylic acid,usaf bo-2 PubChem CID: 66827 ChEBI: CHEBI:44923 IUPAC Name: phenylboronic acid SMILES: OB(O)C1=CC=CC=C1
| PubChem CID | 66827 |
|---|---|
| CAS | 98-80-6 |
| Molecular Weight (g/mol) | 121.93 |
| ChEBI | CHEBI:44923 |
| MDL Number | MFCD00002103 |
| SMILES | OB(O)C1=CC=CC=C1 |
| Synonym | benzeneboronic acid,boronic acid, phenyl,phenyl boronic acid,phenylboric acid,dihydroxyphenylborane,phenyldihydroxyborane,dihydroxy phenyl borane,phenylboronicacid,borophenylic acid,usaf bo-2 |
| IUPAC Name | phenylboronic acid |
| InChI Key | HXITXNWTGFUOAU-UHFFFAOYSA-N |
| Molecular Formula | C6H7BO2 |
Phenazine methosulfate, 98+%
CAS: 299-11-6 Molecular Formula: C14H14N2O4S Molecular Weight (g/mol): 306.336 MDL Number: MFCD00011923 InChI Key: RXGJTUSBYWCRBK-UHFFFAOYSA-M Synonym: phenazine methosulfate,5-methylphenazin-5-ium methyl sulfate,5-methylphenazinium methyl sulfate,n-methylphenazonium methosulfate,phenazine methosulphate,methylphenazonium methosulfate,5-methylphenazine methylsulfate,n-methylphenazinium methosulfate,n-methylphenazonium methosulphate,phenazinium, 5-methyl-, methyl sulfate PubChem CID: 9285 ChEBI: CHEBI:8055 IUPAC Name: 5-methylphenazin-5-ium;methyl sulfate SMILES: C[N+]1=C2C=CC=CC2=NC3=CC=CC=C31.COS(=O)(=O)[O-]
| PubChem CID | 9285 |
|---|---|
| CAS | 299-11-6 |
| Molecular Weight (g/mol) | 306.336 |
| ChEBI | CHEBI:8055 |
| MDL Number | MFCD00011923 |
| SMILES | C[N+]1=C2C=CC=CC2=NC3=CC=CC=C31.COS(=O)(=O)[O-] |
| Synonym | phenazine methosulfate,5-methylphenazin-5-ium methyl sulfate,5-methylphenazinium methyl sulfate,n-methylphenazonium methosulfate,phenazine methosulphate,methylphenazonium methosulfate,5-methylphenazine methylsulfate,n-methylphenazinium methosulfate,n-methylphenazonium methosulphate,phenazinium, 5-methyl-, methyl sulfate |
| IUPAC Name | 5-methylphenazin-5-ium;methyl sulfate |
| InChI Key | RXGJTUSBYWCRBK-UHFFFAOYSA-M |
| Molecular Formula | C14H14N2O4S |
Sodium dodecyl sulfate, >99%, MP Biomedicals™
CAS: 151-21-3 Molecular Formula: C12H25NaO4S Molecular Weight (g/mol): 288.38 MDL Number: MFCD00036175 InChI Key: DBMJMQXJHONAFJ-UHFFFAOYSA-M Synonym: sodium dodecyl sulfate,sodium lauryl sulfate,sodium dodecylsulfate,sodium lauryl sulphate,sodium dodecyl sulphate,dodecyl sulfate, sodium salt,anticerumen,gardinol,neutrazyme,duponal PubChem CID: 3423265 ChEBI: CHEBI:8984 SMILES: [Na+].CCCCCCCCCCCCOS([O-])(=O)=O
| PubChem CID | 3423265 |
|---|---|
| CAS | 151-21-3 |
| Molecular Weight (g/mol) | 288.38 |
| ChEBI | CHEBI:8984 |
| MDL Number | MFCD00036175 |
| SMILES | [Na+].CCCCCCCCCCCCOS([O-])(=O)=O |
| Synonym | sodium dodecyl sulfate,sodium lauryl sulfate,sodium dodecylsulfate,sodium lauryl sulphate,sodium dodecyl sulphate,dodecyl sulfate, sodium salt,anticerumen,gardinol,neutrazyme,duponal |
| InChI Key | DBMJMQXJHONAFJ-UHFFFAOYSA-M |
| Molecular Formula | C12H25NaO4S |
Naproxen sodium, 98%, Thermo Scientific Chemicals
CAS: 26159-34-2 Molecular Formula: C14H13NaO3 Molecular Weight (g/mol): 252.25 MDL Number: MFCD00058507 InChI Key: CDBRNDSHEYLDJV-FVGYRXGTSA-M Synonym: naproxen sodium,anaprox,miranax,naprelan,naproxen sodium salt,anapran,anaprotab,aprowell,floginex,flogogin PubChem CID: 23681059 ChEBI: CHEBI:7477 IUPAC Name: sodium;(2S)-2-(6-methoxynaphthalen-2-yl)propanoate SMILES: [Na+].COC1=CC=C2C=C(C=CC2=C1)[C@H](C)C([O-])=O
| PubChem CID | 23681059 |
|---|---|
| CAS | 26159-34-2 |
| Molecular Weight (g/mol) | 252.25 |
| ChEBI | CHEBI:7477 |
| MDL Number | MFCD00058507 |
| SMILES | [Na+].COC1=CC=C2C=C(C=CC2=C1)[C@H](C)C([O-])=O |
| Synonym | naproxen sodium,anaprox,miranax,naprelan,naproxen sodium salt,anapran,anaprotab,aprowell,floginex,flogogin |
| IUPAC Name | sodium;(2S)-2-(6-methoxynaphthalen-2-yl)propanoate |
| InChI Key | CDBRNDSHEYLDJV-FVGYRXGTSA-M |
| Molecular Formula | C14H13NaO3 |
Isoamyl Acetate 98.0+%, TCI America™
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CAS: 123-92-2 Molecular Formula: C7H14O2 Molecular Weight (g/mol): 130.19 MDL Number: MFCD00008946 InChI Key: MLFHJEHSLIIPHL-UHFFFAOYSA-N Synonym: isoamyl acetate,isopentyl acetate,isopentyl ethanoate,banana oil,pear oil,3-methylbutyl ethanoate,isoamyl ethanoate,iso-amyl acetate,3-methyl-1-butyl acetate,i-amyl acetate PubChem CID: 31276 ChEBI: CHEBI:31725 IUPAC Name: 3-methylbutyl acetate SMILES: CC(C)CCOC(C)=O
| PubChem CID | 31276 |
|---|---|
| CAS | 123-92-2 |
| Molecular Weight (g/mol) | 130.19 |
| ChEBI | CHEBI:31725 |
| MDL Number | MFCD00008946 |
| SMILES | CC(C)CCOC(C)=O |
| Synonym | isoamyl acetate,isopentyl acetate,isopentyl ethanoate,banana oil,pear oil,3-methylbutyl ethanoate,isoamyl ethanoate,iso-amyl acetate,3-methyl-1-butyl acetate,i-amyl acetate |
| IUPAC Name | 3-methylbutyl acetate |
| InChI Key | MLFHJEHSLIIPHL-UHFFFAOYSA-N |
| Molecular Formula | C7H14O2 |
Citric acid, diammonium salt, 98+%, ACS reagent
CAS: 3012-65-5 Molecular Formula: C6H14N2O7 Molecular Weight (g/mol): 226.19 MDL Number: MFCD00013068 InChI Key: YXVFQADLFFNVDS-UHFFFAOYSA-N Synonym: ammonium citrate dibasic,ammonium hydrogencitrate,diammonium hydrogen citrate,citric acid diammonium salt,citric acid ammonium salt,di-ammonium hydrogen citrate,citro diamine,citric acid diamine,ammonium citrate, dibasic, acs,ammonium citrate dibasic, puriss PubChem CID: 13710713 ChEBI: CHEBI:63076 IUPAC Name: azane;2-hydroxypropane-1,2,3-tricarboxylic acid SMILES: [NH4+].[NH4+].OC(=O)C(O)(CC([O-])=O)CC([O-])=O
| PubChem CID | 13710713 |
|---|---|
| CAS | 3012-65-5 |
| Molecular Weight (g/mol) | 226.19 |
| ChEBI | CHEBI:63076 |
| MDL Number | MFCD00013068 |
| SMILES | [NH4+].[NH4+].OC(=O)C(O)(CC([O-])=O)CC([O-])=O |
| Synonym | ammonium citrate dibasic,ammonium hydrogencitrate,diammonium hydrogen citrate,citric acid diammonium salt,citric acid ammonium salt,di-ammonium hydrogen citrate,citro diamine,citric acid diamine,ammonium citrate, dibasic, acs,ammonium citrate dibasic, puriss |
| IUPAC Name | azane;2-hydroxypropane-1,2,3-tricarboxylic acid |
| InChI Key | YXVFQADLFFNVDS-UHFFFAOYSA-N |
| Molecular Formula | C6H14N2O7 |
Ethyl trifluoroacetate, 99%
CAS: 383-63-1 Molecular Formula: C4H5F3O2 Molecular Weight (g/mol): 142.077 MDL Number: MFCD00000419 InChI Key: STSCVKRWJPWALQ-UHFFFAOYSA-N Synonym: ethyl trifluoroacetate,trifluoroacetic acid ethyl ester,ethyltrifluoroacetate,acetic acid, trifluoro-, ethyl ester,trifluoroacetic acid, ethyl ester,ethyl trifluoroethanoate,unii-a6tzk6x11x,acetic acid, 2,2,2-trifluoro-, ethyl ester,a6tzk6x11x,ethyl ester of trifluoroacetic acid PubChem CID: 9794 IUPAC Name: ethyl 2,2,2-trifluoroacetate SMILES: CCOC(=O)C(F)(F)F
| PubChem CID | 9794 |
|---|---|
| CAS | 383-63-1 |
| Molecular Weight (g/mol) | 142.077 |
| MDL Number | MFCD00000419 |
| SMILES | CCOC(=O)C(F)(F)F |
| Synonym | ethyl trifluoroacetate,trifluoroacetic acid ethyl ester,ethyltrifluoroacetate,acetic acid, trifluoro-, ethyl ester,trifluoroacetic acid, ethyl ester,ethyl trifluoroethanoate,unii-a6tzk6x11x,acetic acid, 2,2,2-trifluoro-, ethyl ester,a6tzk6x11x,ethyl ester of trifluoroacetic acid |
| IUPAC Name | ethyl 2,2,2-trifluoroacetate |
| InChI Key | STSCVKRWJPWALQ-UHFFFAOYSA-N |
| Molecular Formula | C4H5F3O2 |
DL-Tropic acid, 97%
CAS: 552-63-6 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00004255 InChI Key: JACRWUWPXAESPB-UHFFFAOYNA-N Synonym: tropic acid,dl-tropic acid,2-phenylhydracrylic acid,3-hydroxy-2-phenylpropionic acid,+--tropic acid,tropate,alpha-hydroxymethyl benzeneacetic acid,beta-hydroxyhydratropic acid,hydracrylic acid, 2-phenyl,alpha-hydroxymethyl phenylacetic acid PubChem CID: 10726 ChEBI: CHEBI:30765 IUPAC Name: 3-hydroxy-2-phenylpropanoic acid SMILES: OCC(C(O)=O)C1=CC=CC=C1
| PubChem CID | 10726 |
|---|---|
| CAS | 552-63-6 |
| Molecular Weight (g/mol) | 166.18 |
| ChEBI | CHEBI:30765 |
| MDL Number | MFCD00004255 |
| SMILES | OCC(C(O)=O)C1=CC=CC=C1 |
| Synonym | tropic acid,dl-tropic acid,2-phenylhydracrylic acid,3-hydroxy-2-phenylpropionic acid,+--tropic acid,tropate,alpha-hydroxymethyl benzeneacetic acid,beta-hydroxyhydratropic acid,hydracrylic acid, 2-phenyl,alpha-hydroxymethyl phenylacetic acid |
| IUPAC Name | 3-hydroxy-2-phenylpropanoic acid |
| InChI Key | JACRWUWPXAESPB-UHFFFAOYNA-N |
| Molecular Formula | C9H10O3 |
N-Isopropylacrylamide, 97%
CAS: 2210-25-5 Molecular Formula: C6H11NO Molecular Weight (g/mol): 113.16 MDL Number: MFCD00041913 InChI Key: QNILTEGFHQSKFF-UHFFFAOYSA-N Synonym: n-isopropylacrylamide,nipam,n-iso-propylacrylamide,2-propenamide, n-1-methylethyl,isopropyl acrylamide,acrylamide, n-isopropyl,n-isopropyl acrylamide,n-1-methylethyl-2-propenamide,isopropylamid kyseliny akrylove,unii-b7gff17l9u PubChem CID: 16637 SMILES: CC(C)NC(=O)C=C
| PubChem CID | 16637 |
|---|---|
| CAS | 2210-25-5 |
| Molecular Weight (g/mol) | 113.16 |
| MDL Number | MFCD00041913 |
| SMILES | CC(C)NC(=O)C=C |
| Synonym | n-isopropylacrylamide,nipam,n-iso-propylacrylamide,2-propenamide, n-1-methylethyl,isopropyl acrylamide,acrylamide, n-isopropyl,n-isopropyl acrylamide,n-1-methylethyl-2-propenamide,isopropylamid kyseliny akrylove,unii-b7gff17l9u |
| InChI Key | QNILTEGFHQSKFF-UHFFFAOYSA-N |
| Molecular Formula | C6H11NO |
Iron(III) trifluoromethanesulfonate, tech. 90%
CAS: 63295-48-7 Molecular Formula: C3F9FeO9S3 Molecular Weight (g/mol): 503.035 MDL Number: MFCD15144785 InChI Key: OSHOQERNFGVVRH-UHFFFAOYSA-K Synonym: iron iii trifluoromethanesulfonate,fe otf 3,ferric triflate,iron iii triflate,fe cf3so3 3,ksc497q0p,iron 3+ tritriflate,ferric trifluoromethanesulfonate,iron 1,1,1-trifluoromethanesulfonic acid,iron 3+ ion tritrifluoromethanesulfonate PubChem CID: 11656316 IUPAC Name: iron(3+);trifluoromethanesulfonate SMILES: C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Fe+3]
| PubChem CID | 11656316 |
|---|---|
| CAS | 63295-48-7 |
| Molecular Weight (g/mol) | 503.035 |
| MDL Number | MFCD15144785 |
| SMILES | C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Fe+3] |
| Synonym | iron iii trifluoromethanesulfonate,fe otf 3,ferric triflate,iron iii triflate,fe cf3so3 3,ksc497q0p,iron 3+ tritriflate,ferric trifluoromethanesulfonate,iron 1,1,1-trifluoromethanesulfonic acid,iron 3+ ion tritrifluoromethanesulfonate |
| IUPAC Name | iron(3+);trifluoromethanesulfonate |
| InChI Key | OSHOQERNFGVVRH-UHFFFAOYSA-K |
| Molecular Formula | C3F9FeO9S3 |
N-tert-Butylacetamide, 98%
CAS: 762-84-5 Molecular Formula: C6H13NO Molecular Weight (g/mol): 115.176 MDL Number: MFCD00038244 InChI Key: ACYFWRHALJTSCF-UHFFFAOYSA-N Synonym: n-tert-butyl acetamide,tert-butylacetamide,n-t-butylacetamide,acetamide, n-1,1-dimethylethyl,ch3c o nhc ch3 3,acetamide,n-1,1-dimethylethyl PubChem CID: 12985 IUPAC Name: N-tert-butylacetamide SMILES: CC(=O)NC(C)(C)C
| PubChem CID | 12985 |
|---|---|
| CAS | 762-84-5 |
| Molecular Weight (g/mol) | 115.176 |
| MDL Number | MFCD00038244 |
| SMILES | CC(=O)NC(C)(C)C |
| Synonym | n-tert-butyl acetamide,tert-butylacetamide,n-t-butylacetamide,acetamide, n-1,1-dimethylethyl,ch3c o nhc ch3 3,acetamide,n-1,1-dimethylethyl |
| IUPAC Name | N-tert-butylacetamide |
| InChI Key | ACYFWRHALJTSCF-UHFFFAOYSA-N |
| Molecular Formula | C6H13NO |