Organic acids and derivatives
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Calcium propionate, 98+%
CAS: 4075-81-4 Molecular Formula: C6H10CaO4 Molecular Weight (g/mol): 186.22 MDL Number: MFCD00167354 InChI Key: BCZXFFBUYPCTSJ-UHFFFAOYSA-L Synonym: calcium propionate,calcium dipropionate,calcium propanoate,mycoban,propanoic acid, calcium salt,bioban-c,caswell no. 151,propionic acid, calcium salt,unii-8ai80040kw,hsdb 907 PubChem CID: 19999 ChEBI: CHEBI:81716 IUPAC Name: calcium;propanoate SMILES: [Ca++].CCC([O-])=O.CCC([O-])=O
| PubChem CID | 19999 |
|---|---|
| CAS | 4075-81-4 |
| Molecular Weight (g/mol) | 186.22 |
| ChEBI | CHEBI:81716 |
| MDL Number | MFCD00167354 |
| SMILES | [Ca++].CCC([O-])=O.CCC([O-])=O |
| Synonym | calcium propionate,calcium dipropionate,calcium propanoate,mycoban,propanoic acid, calcium salt,bioban-c,caswell no. 151,propionic acid, calcium salt,unii-8ai80040kw,hsdb 907 |
| IUPAC Name | calcium;propanoate |
| InChI Key | BCZXFFBUYPCTSJ-UHFFFAOYSA-L |
| Molecular Formula | C6H10CaO4 |
Isopropyl Palmitate 97.0+%, TCI America™
CAS: 142-91-6 Molecular Formula: C19H38O2 Molecular Weight (g/mol): 298.51 MDL Number: MFCD00008993 InChI Key: XUGNVMKQXJXZCD-UHFFFAOYSA-N Synonym: isopropyl palmitate,isopropyl hexadecanoate,isopalm,deltyl,isopal,propal,deltyl prime,tegester isopalm,ja-fa ippkessco,sinnoester pit PubChem CID: 8907 ChEBI: CHEBI:84262 IUPAC Name: propan-2-yl hexadecanoate SMILES: CCCCCCCCCCCCCCCC(=O)OC(C)C
| PubChem CID | 8907 |
|---|---|
| CAS | 142-91-6 |
| Molecular Weight (g/mol) | 298.51 |
| ChEBI | CHEBI:84262 |
| MDL Number | MFCD00008993 |
| SMILES | CCCCCCCCCCCCCCCC(=O)OC(C)C |
| Synonym | isopropyl palmitate,isopropyl hexadecanoate,isopalm,deltyl,isopal,propal,deltyl prime,tegester isopalm,ja-fa ippkessco,sinnoester pit |
| IUPAC Name | propan-2-yl hexadecanoate |
| InChI Key | XUGNVMKQXJXZCD-UHFFFAOYSA-N |
| Molecular Formula | C19H38O2 |
Potassium methanesulfonate, 99%
CAS: 2386-56-3 Molecular Formula: CH3KO3S Molecular Weight (g/mol): 134.19 MDL Number: MFCD00070544 InChI Key: XWIJIXWOZCRYEL-UHFFFAOYSA-M Synonym: potassium methanesulfonate,methanesulfonic acid, potassium salt,potassium mesylate,potassium methylsulfonate,potassium methyl sulfonate,potassium methanesulphonate,unii-s99ib3em17,methanesulfonic acid potassium salt,methanesulfonic acid,potassium salt 1:1,methanesulfonic acid, potassium salt 1:1 PubChem CID: 23666501 IUPAC Name: potassium;methanesulfonate SMILES: CS(=O)(=O)[O-].[K+]
| PubChem CID | 23666501 |
|---|---|
| CAS | 2386-56-3 |
| Molecular Weight (g/mol) | 134.19 |
| MDL Number | MFCD00070544 |
| SMILES | CS(=O)(=O)[O-].[K+] |
| Synonym | potassium methanesulfonate,methanesulfonic acid, potassium salt,potassium mesylate,potassium methylsulfonate,potassium methyl sulfonate,potassium methanesulphonate,unii-s99ib3em17,methanesulfonic acid potassium salt,methanesulfonic acid,potassium salt 1:1,methanesulfonic acid, potassium salt 1:1 |
| IUPAC Name | potassium;methanesulfonate |
| InChI Key | XWIJIXWOZCRYEL-UHFFFAOYSA-M |
| Molecular Formula | CH3KO3S |
n-Butyl acrylate, 98+%, stab. with up to 50ppm 4-methoxyphenol
CAS: 141-32-2 Molecular Formula: C7H12O2 Molecular Weight (g/mol): 128.171 MDL Number: MFCD00009446 InChI Key: CQEYYJKEWSMYFG-UHFFFAOYSA-N Synonym: butyl acrylate,n-butyl acrylate,acrylic acid butyl ester,n-butyl propenoate,2-propenoic acid, butyl ester,butyl 2-propenoate,butylacrylate,acrylic acid, butyl ester,acrylic acid n-butyl ester,butylester kyseliny akrylove PubChem CID: 8846 ChEBI: CHEBI:3245 IUPAC Name: butyl prop-2-enoate SMILES: CCCCOC(=O)C=C
| PubChem CID | 8846 |
|---|---|
| CAS | 141-32-2 |
| Molecular Weight (g/mol) | 128.171 |
| ChEBI | CHEBI:3245 |
| MDL Number | MFCD00009446 |
| SMILES | CCCCOC(=O)C=C |
| Synonym | butyl acrylate,n-butyl acrylate,acrylic acid butyl ester,n-butyl propenoate,2-propenoic acid, butyl ester,butyl 2-propenoate,butylacrylate,acrylic acid, butyl ester,acrylic acid n-butyl ester,butylester kyseliny akrylove |
| IUPAC Name | butyl prop-2-enoate |
| InChI Key | CQEYYJKEWSMYFG-UHFFFAOYSA-N |
| Molecular Formula | C7H12O2 |
Perfluorooctanesulfonamide, 95%
CAS: 754-91-6 Molecular Formula: C8H2F17NO2S Molecular Weight (g/mol): 499.15 InChI Key: RRRXPPIDPYTNJG-UHFFFAOYSA-N Synonym: perfluorooctanesulfonamide,perfluoroctylsulfonamide,perfluorooctane sulfonamide,pfosa,heptadecafluorooctanesulphonamide,perfluorooctanesulfonic acid amide,unii-80am718fml,1-octanesulfonamide, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro,deethylsulfluramie,perfluorooctanesulphonamide PubChem CID: 69785 IUPAC Name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide SMILES: C(C(C(C(C(F)(F)S(=O)(=O)N)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F
| PubChem CID | 69785 |
|---|---|
| CAS | 754-91-6 |
| Molecular Weight (g/mol) | 499.15 |
| SMILES | C(C(C(C(C(F)(F)S(=O)(=O)N)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F |
| Synonym | perfluorooctanesulfonamide,perfluoroctylsulfonamide,perfluorooctane sulfonamide,pfosa,heptadecafluorooctanesulphonamide,perfluorooctanesulfonic acid amide,unii-80am718fml,1-octanesulfonamide, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro,deethylsulfluramie,perfluorooctanesulphonamide |
| IUPAC Name | 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide |
| InChI Key | RRRXPPIDPYTNJG-UHFFFAOYSA-N |
| Molecular Formula | C8H2F17NO2S |
1-Octylphosphonic acid, 98%
CAS: 4724-48-5 Molecular Formula: C8H19O3P Molecular Weight (g/mol): 194.211 MDL Number: MFCD00015841 InChI Key: NJGCRMAPOWGWMW-UHFFFAOYSA-N Synonym: n-octylphosphonic acid,1-octylphosphonic acid,phosphonic acid, octyl,phosphonic acid, p-octyl,unii-95c2aw87bo,octylphosphonicacid,acmc-209uni,p-octyl-phosphonic acid,octylphosphonic acid,dsstox_cid_24679 PubChem CID: 78452 IUPAC Name: octylphosphonic acid SMILES: CCCCCCCCP(=O)(O)O
| PubChem CID | 78452 |
|---|---|
| CAS | 4724-48-5 |
| Molecular Weight (g/mol) | 194.211 |
| MDL Number | MFCD00015841 |
| SMILES | CCCCCCCCP(=O)(O)O |
| Synonym | n-octylphosphonic acid,1-octylphosphonic acid,phosphonic acid, octyl,phosphonic acid, p-octyl,unii-95c2aw87bo,octylphosphonicacid,acmc-209uni,p-octyl-phosphonic acid,octylphosphonic acid,dsstox_cid_24679 |
| IUPAC Name | octylphosphonic acid |
| InChI Key | NJGCRMAPOWGWMW-UHFFFAOYSA-N |
| Molecular Formula | C8H19O3P |
3-(Methylthio)propionic acid, 98%
CAS: 646-01-5 Molecular Formula: C4H8O2S Molecular Weight (g/mol): 120.166 MDL Number: MFCD00059635 InChI Key: CAOMCZAIALVUPA-UHFFFAOYSA-N Synonym: 3-methylthio propionic acid,3-methylthiopropionate,3-methylthiopropionic acid,4-thiapentanoic acid,3-methylsulfanyl propanoic acid,propanoic acid, 3-methylthio,3-methylmercaptopropionic acid,unii-f523ali47d,3-methylthio propanoic acid,propionic acid, 3-methylthio PubChem CID: 563 ChEBI: CHEBI:1438 IUPAC Name: 3-methylsulfanylpropanoic acid SMILES: CSCCC(=O)O
| PubChem CID | 563 |
|---|---|
| CAS | 646-01-5 |
| Molecular Weight (g/mol) | 120.166 |
| ChEBI | CHEBI:1438 |
| MDL Number | MFCD00059635 |
| SMILES | CSCCC(=O)O |
| Synonym | 3-methylthio propionic acid,3-methylthiopropionate,3-methylthiopropionic acid,4-thiapentanoic acid,3-methylsulfanyl propanoic acid,propanoic acid, 3-methylthio,3-methylmercaptopropionic acid,unii-f523ali47d,3-methylthio propanoic acid,propionic acid, 3-methylthio |
| IUPAC Name | 3-methylsulfanylpropanoic acid |
| InChI Key | CAOMCZAIALVUPA-UHFFFAOYSA-N |
| Molecular Formula | C4H8O2S |
2-Ethylhexyl acetate, 99%
CAS: 103-09-3 Molecular Formula: C10H20O2 Molecular Weight (g/mol): 172.27 MDL Number: MFCD00027249 InChI Key: WOYWLLHHWAMFCB-UHFFFAOYNA-N Synonym: acetic acid, 2-ethylhexyl ester,2-ethyl-1-hexanol acetate,2-ethylhexyl ethanoate,2-ethyl-1-hexyl acetate,2-ethylhexanyl acetate,2-ethylhexylacetate,beta-ethylhexyl acetate,acetic acid 2-ethylhexyl ester,fema number 2806,2-ethylhexylester kyseliny octove PubChem CID: 7635 ChEBI: CHEBI:87392 IUPAC Name: 2-ethylhexyl acetate SMILES: CCCCC(CC)COC(C)=O
| PubChem CID | 7635 |
|---|---|
| CAS | 103-09-3 |
| Molecular Weight (g/mol) | 172.27 |
| ChEBI | CHEBI:87392 |
| MDL Number | MFCD00027249 |
| SMILES | CCCCC(CC)COC(C)=O |
| Synonym | acetic acid, 2-ethylhexyl ester,2-ethyl-1-hexanol acetate,2-ethylhexyl ethanoate,2-ethyl-1-hexyl acetate,2-ethylhexanyl acetate,2-ethylhexylacetate,beta-ethylhexyl acetate,acetic acid 2-ethylhexyl ester,fema number 2806,2-ethylhexylester kyseliny octove |
| IUPAC Name | 2-ethylhexyl acetate |
| InChI Key | WOYWLLHHWAMFCB-UHFFFAOYNA-N |
| Molecular Formula | C10H20O2 |
Cypermethrin, 96%
CAS: 52315-07-8 Molecular Formula: C22H19Cl2NO3 Molecular Weight (g/mol): 416.3 InChI Key: KAATUXNTWXVJKI-UHFFFAOYSA-N Synonym: cypermethrin,barricade,ripcord,ustaad,ammo,supercypermethrin,cymbush,alpha-cypermethrin,cypermethrine,agrothrin PubChem CID: 2912 ChEBI: CHEBI:4042 IUPAC Name: [cyano-(3-phenoxyphenyl)methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate SMILES: CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C
| PubChem CID | 2912 |
|---|---|
| CAS | 52315-07-8 |
| Molecular Weight (g/mol) | 416.3 |
| ChEBI | CHEBI:4042 |
| SMILES | CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C |
| Synonym | cypermethrin,barricade,ripcord,ustaad,ammo,supercypermethrin,cymbush,alpha-cypermethrin,cypermethrine,agrothrin |
| IUPAC Name | [cyano-(3-phenoxyphenyl)methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate |
| InChI Key | KAATUXNTWXVJKI-UHFFFAOYSA-N |
| Molecular Formula | C22H19Cl2NO3 |
1-Pentanesulfonic acid, sodium salt monohydrate, 98+%, HPLC grade
CAS: 207605-40-1 Molecular Formula: C5H11NaO3S·H2O Molecular Weight (g/mol): 192.22 MDL Number: MFCD00149548 InChI Key: FPQYXAFKHLSWTI-UHFFFAOYSA-M Synonym: sodium pentane-1-sulfonate hydrate,1-pentanesulfonic acid sodium salt monohydrate,sodium 1-pentanesulfonate monohydrate,potassium hydrate pentane-1-sulfonate,sodium 1-pentanesulfonate hydrate,sodium hydrate pentane-1-sulfonate,sodium pentane-1-sulfonate-water 1/1/1,1-pentane sulphonic acid sodium salt monohydrate,1-pentanesulfonic acid sodium salt monohydydrate,sodium 1-pentanesulfonate monohydrate, hplc grade PubChem CID: 23693099 IUPAC Name: sodium;pentane-1-sulfonate;hydrate SMILES: CCCCCS(=O)(=O)[O-].O.[Na+]
| PubChem CID | 23693099 |
|---|---|
| CAS | 207605-40-1 |
| Molecular Weight (g/mol) | 192.22 |
| MDL Number | MFCD00149548 |
| SMILES | CCCCCS(=O)(=O)[O-].O.[Na+] |
| Synonym | sodium pentane-1-sulfonate hydrate,1-pentanesulfonic acid sodium salt monohydrate,sodium 1-pentanesulfonate monohydrate,potassium hydrate pentane-1-sulfonate,sodium 1-pentanesulfonate hydrate,sodium hydrate pentane-1-sulfonate,sodium pentane-1-sulfonate-water 1/1/1,1-pentane sulphonic acid sodium salt monohydrate,1-pentanesulfonic acid sodium salt monohydydrate,sodium 1-pentanesulfonate monohydrate, hplc grade |
| IUPAC Name | sodium;pentane-1-sulfonate;hydrate |
| InChI Key | FPQYXAFKHLSWTI-UHFFFAOYSA-M |
| Molecular Formula | C5H11NaO3S·H2O |
Bis(2-ethylhexyl) Hydrogen Phosphate 95.0+%, TCI America™
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CAS: 298-07-7 Molecular Formula: C16H35O4P Molecular Weight (g/mol): 322.43 MDL Number: MFCD00009492 InChI Key: SEGLCEQVOFDUPX-UHFFFAOYNA-N Synonym: bis 2-ethylhexyl hydrogen phosphate,bis 2-ethylhexyl phosphate,hdehp,di 2-ethylhexyl phosphate,dehpa extractant,di 2-ethylhexyl phosphoric acid,escaid 100,d 2ehpa,bis 2-ethylhexyl phosphoric acid PubChem CID: 9275 IUPAC Name: bis[(2-ethylhexyl)oxy]phosphinic acid SMILES: CCCCC(CC)COP(O)(=O)OCC(CC)CCCC
| PubChem CID | 9275 |
|---|---|
| CAS | 298-07-7 |
| Molecular Weight (g/mol) | 322.43 |
| MDL Number | MFCD00009492 |
| SMILES | CCCCC(CC)COP(O)(=O)OCC(CC)CCCC |
| Synonym | bis 2-ethylhexyl hydrogen phosphate,bis 2-ethylhexyl phosphate,hdehp,di 2-ethylhexyl phosphate,dehpa extractant,di 2-ethylhexyl phosphoric acid,escaid 100,d 2ehpa,bis 2-ethylhexyl phosphoric acid |
| IUPAC Name | bis[(2-ethylhexyl)oxy]phosphinic acid |
| InChI Key | SEGLCEQVOFDUPX-UHFFFAOYNA-N |
| Molecular Formula | C16H35O4P |
Ethanesulfonic acid, 96%
CAS: 594-45-6 Molecular Formula: C2H5O3S Molecular Weight (g/mol): 109.12 MDL Number: MFCD00007529 InChI Key: CCIVGXIOQKPBKL-UHFFFAOYSA-M Synonym: ethylsulfonic acid,ethanesulphonic acid,ethane sulfonate,ethane sulfonic acid,ethane sulphonic acid,ethansulfonic acid,ethylsulphonic acid,1-ethanesulfonic acid,2-ethanesulfonic acid,ethanesulfonicacid PubChem CID: 11668 ChEBI: CHEBI:42465 IUPAC Name: ethanesulfonic acid SMILES: CCS([O-])(=O)=O
| PubChem CID | 11668 |
|---|---|
| CAS | 594-45-6 |
| Molecular Weight (g/mol) | 109.12 |
| ChEBI | CHEBI:42465 |
| MDL Number | MFCD00007529 |
| SMILES | CCS([O-])(=O)=O |
| Synonym | ethylsulfonic acid,ethanesulphonic acid,ethane sulfonate,ethane sulfonic acid,ethane sulphonic acid,ethansulfonic acid,ethylsulphonic acid,1-ethanesulfonic acid,2-ethanesulfonic acid,ethanesulfonicacid |
| IUPAC Name | ethanesulfonic acid |
| InChI Key | CCIVGXIOQKPBKL-UHFFFAOYSA-M |
| Molecular Formula | C2H5O3S |
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 |
Methyl dichloroacetate, 99%
CAS: 116-54-1 Molecular Formula: C3H4Cl2O2 Molecular Weight (g/mol): 142.97 MDL Number: MFCD00000843 InChI Key: HKMLRUAPIDAGIE-UHFFFAOYSA-N Synonym: methyl dichloroacetate,dichloroacetic acid methyl ester,acetic acid, dichloro-, methyl ester,ccris 7740,acetic acid, 2,2-dichloro-, methyl ester,methyldichloroethanoate,acmc-1brpm,dichloroacetic acid methyl,methyl2,2-dichloroacetate,wln: gygvo1 PubChem CID: 8315 IUPAC Name: methyl 2,2-dichloroacetate SMILES: COC(=O)C(Cl)Cl
| PubChem CID | 8315 |
|---|---|
| CAS | 116-54-1 |
| Molecular Weight (g/mol) | 142.97 |
| MDL Number | MFCD00000843 |
| SMILES | COC(=O)C(Cl)Cl |
| Synonym | methyl dichloroacetate,dichloroacetic acid methyl ester,acetic acid, dichloro-, methyl ester,ccris 7740,acetic acid, 2,2-dichloro-, methyl ester,methyldichloroethanoate,acmc-1brpm,dichloroacetic acid methyl,methyl2,2-dichloroacetate,wln: gygvo1 |
| IUPAC Name | methyl 2,2-dichloroacetate |
| InChI Key | HKMLRUAPIDAGIE-UHFFFAOYSA-N |
| Molecular Formula | C3H4Cl2O2 |
N,N-Dimethylformamide dimethyl acetal, 94%
CAS: 4637-24-5 Molecular Formula: C5H13NO2 Molecular Weight (g/mol): 119.16 MDL Number: MFCD00008482 InChI Key: ZSXGLVDWWRXATF-UHFFFAOYSA-N Synonym: n,n-dimethylformamide dimethyl acetal,1,1-dimethoxytrimethylamine,dimethoxymethyl dimethylamine,methanamine, 1,1-dimethoxy-n,n-dimethyl,dimethylformamide-dimethylacetal,dmf dimethyl acetal,dmfdma,dimethylformamide dimethyl acetal,1,1-dimethoxy-n,n-dimethylmethylamine,dimethoxy dimethylamino methane PubChem CID: 78373 ChEBI: CHEBI:85061 IUPAC Name: (dimethoxymethyl)dimethylamine SMILES: COC(OC)N(C)C
| PubChem CID | 78373 |
|---|---|
| CAS | 4637-24-5 |
| Molecular Weight (g/mol) | 119.16 |
| ChEBI | CHEBI:85061 |
| MDL Number | MFCD00008482 |
| SMILES | COC(OC)N(C)C |
| Synonym | n,n-dimethylformamide dimethyl acetal,1,1-dimethoxytrimethylamine,dimethoxymethyl dimethylamine,methanamine, 1,1-dimethoxy-n,n-dimethyl,dimethylformamide-dimethylacetal,dmf dimethyl acetal,dmfdma,dimethylformamide dimethyl acetal,1,1-dimethoxy-n,n-dimethylmethylamine,dimethoxy dimethylamino methane |
| IUPAC Name | (dimethoxymethyl)dimethylamine |
| InChI Key | ZSXGLVDWWRXATF-UHFFFAOYSA-N |
| Molecular Formula | C5H13NO2 |