Organic acids and derivatives
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Ethyl p-toluenesulfonate, 98%
CAS: 80-40-0 Molecular Formula: C9H12O3S Molecular Weight (g/mol): 200.252 MDL Number: MFCD00009100 InChI Key: VRZVPALEJCLXPR-UHFFFAOYSA-N Synonym: ethyl p-toluenesulfonate,ethyl tosylate,ethyl p-tosylate,ethyl p-ts,benzenesulfonic acid, 4-methyl-, ethyl ester,ethyl p-methylbenzenesulfonate,ethyl-p-toluenesulfonate,p-toluenesulfonic acid, ethyl ester,ethyl pts,p-toluolsulfonsaeure aethyl ester PubChem CID: 6638 IUPAC Name: ethyl 4-methylbenzenesulfonate SMILES: CCOS(=O)(=O)C1=CC=C(C=C1)C
| PubChem CID | 6638 |
|---|---|
| CAS | 80-40-0 |
| Molecular Weight (g/mol) | 200.252 |
| MDL Number | MFCD00009100 |
| SMILES | CCOS(=O)(=O)C1=CC=C(C=C1)C |
| Synonym | ethyl p-toluenesulfonate,ethyl tosylate,ethyl p-tosylate,ethyl p-ts,benzenesulfonic acid, 4-methyl-, ethyl ester,ethyl p-methylbenzenesulfonate,ethyl-p-toluenesulfonate,p-toluenesulfonic acid, ethyl ester,ethyl pts,p-toluolsulfonsaeure aethyl ester |
| IUPAC Name | ethyl 4-methylbenzenesulfonate |
| InChI Key | VRZVPALEJCLXPR-UHFFFAOYSA-N |
| Molecular Formula | C9H12O3S |
3-O-Ethyl-L-ascorbic Acid 98.0+%, TCI America™
CAS: 86404-04-8 Molecular Formula: C8H12O6 Molecular Weight (g/mol): 204.178 MDL Number: MFCD09261382 InChI Key: ZGSCRDSBTNQPMS-UJURSFKZSA-N PubChem CID: 150736 IUPAC Name: (2R)-2-[(1S)-1,2-dihydroxyethyl]-3-ethoxy-4-hydroxy-2H-furan-5-one SMILES: CCOC1=C(C(=O)OC1C(CO)O)O
| PubChem CID | 150736 |
|---|---|
| CAS | 86404-04-8 |
| Molecular Weight (g/mol) | 204.178 |
| MDL Number | MFCD09261382 |
| SMILES | CCOC1=C(C(=O)OC1C(CO)O)O |
| IUPAC Name | (2R)-2-[(1S)-1,2-dihydroxyethyl]-3-ethoxy-4-hydroxy-2H-furan-5-one |
| InChI Key | ZGSCRDSBTNQPMS-UJURSFKZSA-N |
| Molecular Formula | C8H12O6 |
Methyl propionate, 99%
CAS: 554-12-1 Molecular Formula: C4H8O2 Molecular Weight (g/mol): 88.106 MDL Number: MFCD00009306 InChI Key: RJUFJBKOKNCXHH-UHFFFAOYSA-N Synonym: methyl propionate,propanoic acid, methyl ester,methyl propylate,methylpropionate,propionic acid, methyl ester,propionate de methyle,propanoic acid methyl ester,fema number 2742,propionic acid methyl ester,methyl propionate natural PubChem CID: 11124 IUPAC Name: methyl propanoate SMILES: CCC(=O)OC
| PubChem CID | 11124 |
|---|---|
| CAS | 554-12-1 |
| Molecular Weight (g/mol) | 88.106 |
| MDL Number | MFCD00009306 |
| SMILES | CCC(=O)OC |
| Synonym | methyl propionate,propanoic acid, methyl ester,methyl propylate,methylpropionate,propionic acid, methyl ester,propionate de methyle,propanoic acid methyl ester,fema number 2742,propionic acid methyl ester,methyl propionate natural |
| IUPAC Name | methyl propanoate |
| InChI Key | RJUFJBKOKNCXHH-UHFFFAOYSA-N |
| Molecular Formula | C4H8O2 |
Dibutyl maleate, 97%
CAS: 105-76-0 Molecular Formula: C12H20O4 Molecular Weight (g/mol): 228.29 MDL Number: MFCD00009447,MFCD00065141 InChI Key: JBSLOWBPDRZSMB-FPLPWBNLSA-N Synonym: dibutyl maleate,butyl maleate,staflex dbm,rc comonomer dbm,maleic acid, dibutyl ester,di-n-butyl maleate,2-butenedioic acid z-, dibutyl ester,2-butenedioic acid, dibutyl ester,maleic acid dibutyl ester,2-butenedioic acid 2z-, dibutyl ester PubChem CID: 5271569 IUPAC Name: dibutyl (Z)-but-2-enedioate SMILES: CCCCOC(=O)\C=C/C(=O)OCCCC
| PubChem CID | 5271569 |
|---|---|
| CAS | 105-76-0 |
| Molecular Weight (g/mol) | 228.29 |
| MDL Number | MFCD00009447,MFCD00065141 |
| SMILES | CCCCOC(=O)\C=C/C(=O)OCCCC |
| Synonym | dibutyl maleate,butyl maleate,staflex dbm,rc comonomer dbm,maleic acid, dibutyl ester,di-n-butyl maleate,2-butenedioic acid z-, dibutyl ester,2-butenedioic acid, dibutyl ester,maleic acid dibutyl ester,2-butenedioic acid 2z-, dibutyl ester |
| IUPAC Name | dibutyl (Z)-but-2-enedioate |
| InChI Key | JBSLOWBPDRZSMB-FPLPWBNLSA-N |
| Molecular Formula | C12H20O4 |
Levulinic Acid, 98+%
CAS: 123-76-2 Molecular Formula: C5H8O3 Molecular Weight (g/mol): 116.12 MDL Number: MFCD00002796 InChI Key: JOOXCMJARBKPKM-UHFFFAOYSA-N Synonym: levulinic acid,laevulinic acid,pentanoic acid, 4-oxo,levulic acid,4-oxovaleric acid,3-acetylpropionic acid,4-ketovaleric acid,leva,gamma-ketovaleric acid,acetopropionic acid PubChem CID: 11579 ChEBI: CHEBI:45630 IUPAC Name: 4-oxopentanoic acid SMILES: CC(=O)CCC(=O)O
| PubChem CID | 11579 |
|---|---|
| CAS | 123-76-2 |
| Molecular Weight (g/mol) | 116.12 |
| ChEBI | CHEBI:45630 |
| MDL Number | MFCD00002796 |
| SMILES | CC(=O)CCC(=O)O |
| Synonym | levulinic acid,laevulinic acid,pentanoic acid, 4-oxo,levulic acid,4-oxovaleric acid,3-acetylpropionic acid,4-ketovaleric acid,leva,gamma-ketovaleric acid,acetopropionic acid |
| IUPAC Name | 4-oxopentanoic acid |
| InChI Key | JOOXCMJARBKPKM-UHFFFAOYSA-N |
| Molecular Formula | C5H8O3 |
n-Butyl levulinate, 98%
CAS: 2052-15-5 Molecular Formula: C9H16O3 Molecular Weight (g/mol): 172.224 MDL Number: MFCD00009449 InChI Key: ISBWNEKJSSLXOD-UHFFFAOYSA-N Synonym: butyl levulinate,n-butyl levulinate,butyl laevulinate,pentanoic acid, 4-oxo-, butyl ester,n-butyl laevulinate,levulinic acid, butyl ester,butyl 4-ketovalerate,4-ketopentanoic acid butyl ester,butyl acetylpropionate,n-butyl 4-oxopentanoate PubChem CID: 16331 IUPAC Name: butyl 4-oxopentanoate SMILES: CCCCOC(=O)CCC(=O)C
| PubChem CID | 16331 |
|---|---|
| CAS | 2052-15-5 |
| Molecular Weight (g/mol) | 172.224 |
| MDL Number | MFCD00009449 |
| SMILES | CCCCOC(=O)CCC(=O)C |
| Synonym | butyl levulinate,n-butyl levulinate,butyl laevulinate,pentanoic acid, 4-oxo-, butyl ester,n-butyl laevulinate,levulinic acid, butyl ester,butyl 4-ketovalerate,4-ketopentanoic acid butyl ester,butyl acetylpropionate,n-butyl 4-oxopentanoate |
| IUPAC Name | butyl 4-oxopentanoate |
| InChI Key | ISBWNEKJSSLXOD-UHFFFAOYSA-N |
| Molecular Formula | C9H16O3 |
Formaldehyde sodium bisulfite, 95%
CAS: 870-72-4 Molecular Formula: CH3NaO4S Molecular Weight (g/mol): 134.081 MDL Number: MFCD00044664 InChI Key: UOULCEYHQNCFFH-UHFFFAOYSA-M Synonym: sodium hydroxymethanesulfonate,formaldehyde sodium bisulfite,formbis,sodium formaldehyde bisulfite,sodium hydroxymethanesulphonate,methanesulfonic acid, hydroxy-, monosodium salt,sodium hydroxymethane sulfonate,sodium formaldehydebisulfite,unii-i566kha05f,methylolsulfonic acid sodium salt PubChem CID: 2723822 IUPAC Name: sodium;hydroxymethanesulfonate SMILES: C(O)S(=O)(=O)[O-].[Na+]
| PubChem CID | 2723822 |
|---|---|
| CAS | 870-72-4 |
| Molecular Weight (g/mol) | 134.081 |
| MDL Number | MFCD00044664 |
| SMILES | C(O)S(=O)(=O)[O-].[Na+] |
| Synonym | sodium hydroxymethanesulfonate,formaldehyde sodium bisulfite,formbis,sodium formaldehyde bisulfite,sodium hydroxymethanesulphonate,methanesulfonic acid, hydroxy-, monosodium salt,sodium hydroxymethane sulfonate,sodium formaldehydebisulfite,unii-i566kha05f,methylolsulfonic acid sodium salt |
| IUPAC Name | sodium;hydroxymethanesulfonate |
| InChI Key | UOULCEYHQNCFFH-UHFFFAOYSA-M |
| Molecular Formula | CH3NaO4S |
5-Hexenyl acetate, 97%
CAS: 5048-26-0 Molecular Formula: C8H14O2 Molecular Weight (g/mol): 142.20 MDL Number: MFCD00060856 InChI Key: MPLWNENKBSBMFN-UHFFFAOYSA-N Synonym: 5-hexenyl acetate,hex-5-en-1-yl acetate,acetic acid 5-hexenyl ester,5-hexen-1-ol, acetate,5-hexene-1-ol, acetate,acetic acid 5-hexen-1-yl ester,6-acetoxy-1-hexene,6-acetoxyhex-1-ene,5-hexenyl acetate #,acmc-1aw0j PubChem CID: 537536 IUPAC Name: hex-5-enyl acetate SMILES: CC(=O)OCCCCC=C
| PubChem CID | 537536 |
|---|---|
| CAS | 5048-26-0 |
| Molecular Weight (g/mol) | 142.20 |
| MDL Number | MFCD00060856 |
| SMILES | CC(=O)OCCCCC=C |
| Synonym | 5-hexenyl acetate,hex-5-en-1-yl acetate,acetic acid 5-hexenyl ester,5-hexen-1-ol, acetate,5-hexene-1-ol, acetate,acetic acid 5-hexen-1-yl ester,6-acetoxy-1-hexene,6-acetoxyhex-1-ene,5-hexenyl acetate #,acmc-1aw0j |
| IUPAC Name | hex-5-enyl acetate |
| InChI Key | MPLWNENKBSBMFN-UHFFFAOYSA-N |
| Molecular Formula | C8H14O2 |
2-Ethylhexyl acrylate, 98%, stab.
CAS: 103-11-7 Molecular Formula: C11H20O2 Molecular Weight (g/mol): 184.279 MDL Number: MFCD00009495 InChI Key: GOXQRTZXKQZDDN-UHFFFAOYSA-N Synonym: 2-ethylhexyl acrylate,2-propenoic acid, 2-ethylhexyl ester,2-ethyl-1-hexyl acrylate,2-ethylhexyl 2-propenoate,acrylic acid, 2-ethylhexyl ester,2-ethylhexylacrylate,acrylic acid 2-ethylhexyl ester,1-hexanol, 2-ethyl-, acrylate,ccris 3430,2-ethylhexylester kyseliny akrylove PubChem CID: 7636 ChEBI: CHEBI:82465 IUPAC Name: 2-ethylhexyl prop-2-enoate SMILES: CCCCC(CC)COC(=O)C=C
| PubChem CID | 7636 |
|---|---|
| CAS | 103-11-7 |
| Molecular Weight (g/mol) | 184.279 |
| ChEBI | CHEBI:82465 |
| MDL Number | MFCD00009495 |
| SMILES | CCCCC(CC)COC(=O)C=C |
| Synonym | 2-ethylhexyl acrylate,2-propenoic acid, 2-ethylhexyl ester,2-ethyl-1-hexyl acrylate,2-ethylhexyl 2-propenoate,acrylic acid, 2-ethylhexyl ester,2-ethylhexylacrylate,acrylic acid 2-ethylhexyl ester,1-hexanol, 2-ethyl-, acrylate,ccris 3430,2-ethylhexylester kyseliny akrylove |
| IUPAC Name | 2-ethylhexyl prop-2-enoate |
| InChI Key | GOXQRTZXKQZDDN-UHFFFAOYSA-N |
| Molecular Formula | C11H20O2 |
1,3-Dibromo-5,5-dimethylhydantoin, 98%
CAS: 77-48-5 Molecular Formula: C5H6Br2N2O2 Molecular Weight (g/mol): 285.91 MDL Number: MFCD00003189 InChI Key: VRLDVERQJMEPIF-UHFFFAOYSA-N Synonym: 1,3-dibromo-5,5-dimethylhydantoin,dibromantin,dibromantine,take charge orange,dbdmh,n,n'-dibromodimethylhydantoin,5,5-dimethyl-1,3-dibromohydantoin,2,4-imidazolidinedione, 1,3-dibromo-5,5-dimethyl,1,3-dibromo-5,5-dimethyl-2,4-imidazolidinedione,unii-v9r5f9i7mz PubChem CID: 6479 IUPAC Name: 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione SMILES: CC1(C(=O)N(C(=O)N1Br)Br)C
| PubChem CID | 6479 |
|---|---|
| CAS | 77-48-5 |
| Molecular Weight (g/mol) | 285.91 |
| MDL Number | MFCD00003189 |
| SMILES | CC1(C(=O)N(C(=O)N1Br)Br)C |
| Synonym | 1,3-dibromo-5,5-dimethylhydantoin,dibromantin,dibromantine,take charge orange,dbdmh,n,n'-dibromodimethylhydantoin,5,5-dimethyl-1,3-dibromohydantoin,2,4-imidazolidinedione, 1,3-dibromo-5,5-dimethyl,1,3-dibromo-5,5-dimethyl-2,4-imidazolidinedione,unii-v9r5f9i7mz |
| IUPAC Name | 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione |
| InChI Key | VRLDVERQJMEPIF-UHFFFAOYSA-N |
| Molecular Formula | C5H6Br2N2O2 |
Ethyl acrylate, 99.5%, stabilized
CAS: 140-88-5 Molecular Formula: C5H8O2 Molecular Weight (g/mol): 100.12 MDL Number: MFCD00009188 InChI Key: JIGUQPWFLRLWPJ-UHFFFAOYSA-N Synonym: ethyl acrylate,acrylic acid ethyl ester,ethyl propenoate,2-propenoic acid, ethyl ester,ethyl 2-propenoate,ethylacrylaat,ethylakrylat,etil acrilato,acrylic acid, ethyl ester,aethylacrylat PubChem CID: 8821 ChEBI: CHEBI:82327 IUPAC Name: ethyl prop-2-enoate SMILES: CCOC(=O)C=C
| PubChem CID | 8821 |
|---|---|
| CAS | 140-88-5 |
| Molecular Weight (g/mol) | 100.12 |
| ChEBI | CHEBI:82327 |
| MDL Number | MFCD00009188 |
| SMILES | CCOC(=O)C=C |
| Synonym | ethyl acrylate,acrylic acid ethyl ester,ethyl propenoate,2-propenoic acid, ethyl ester,ethyl 2-propenoate,ethylacrylaat,ethylakrylat,etil acrilato,acrylic acid, ethyl ester,aethylacrylat |
| IUPAC Name | ethyl prop-2-enoate |
| InChI Key | JIGUQPWFLRLWPJ-UHFFFAOYSA-N |
| Molecular Formula | C5H8O2 |
Dimethyl Acetylenedicarboxylate 96.0+%, TCI America™
CAS: 762-42-5 Molecular Formula: C6H6O4 Molecular Weight (g/mol): 142.11 MDL Number: MFCD00008456 InChI Key: VHILMKFSCRWWIJ-UHFFFAOYSA-N Synonym: dimethyl acetylenedicarboxylate,2-butynedioic acid, dimethyl ester,1,4-dimethyl but-2-ynedioate,dimethyl butynedioate,dimethyl 2-butynedioate,acetylenedicarboxylic acid dimethyl ester,dmad,methyl acetylenedicarboxylate,bis methoxycarbonyl acetylene,di carbomethoxy acetylene PubChem CID: 12980 IUPAC Name: dimethyl but-2-ynedioate SMILES: COC(=O)C#CC(=O)OC
| PubChem CID | 12980 |
|---|---|
| CAS | 762-42-5 |
| Molecular Weight (g/mol) | 142.11 |
| MDL Number | MFCD00008456 |
| SMILES | COC(=O)C#CC(=O)OC |
| Synonym | dimethyl acetylenedicarboxylate,2-butynedioic acid, dimethyl ester,1,4-dimethyl but-2-ynedioate,dimethyl butynedioate,dimethyl 2-butynedioate,acetylenedicarboxylic acid dimethyl ester,dmad,methyl acetylenedicarboxylate,bis methoxycarbonyl acetylene,di carbomethoxy acetylene |
| IUPAC Name | dimethyl but-2-ynedioate |
| InChI Key | VHILMKFSCRWWIJ-UHFFFAOYSA-N |
| Molecular Formula | C6H6O4 |
4'-Bromo-2'-chloroacetanilide, 98+%
CAS: 3460-23-9 Molecular Formula: C8H7BrClNO Molecular Weight (g/mol): 248.504 MDL Number: MFCD00040852 InChI Key: MITWNEIUIPGZKR-UHFFFAOYSA-N Synonym: 4'-bromo-2'-chloroacetanilide,n-4-bromo-2-chlorophenyl acetamide,4-bromo-2-chloroacetanilide,acetamide, n-4-bromo-2-chlorophenyl,maybridge3_007422,2-chlor-4-bromacetanilid,acmc-209i8u,buttpark 83\07-60,acetanilide, 4'-bromo-2'-chloro PubChem CID: 610167 IUPAC Name: N-(4-bromo-2-chlorophenyl)acetamide SMILES: CC(=O)NC1=C(C=C(C=C1)Br)Cl
| PubChem CID | 610167 |
|---|---|
| CAS | 3460-23-9 |
| Molecular Weight (g/mol) | 248.504 |
| MDL Number | MFCD00040852 |
| SMILES | CC(=O)NC1=C(C=C(C=C1)Br)Cl |
| Synonym | 4'-bromo-2'-chloroacetanilide,n-4-bromo-2-chlorophenyl acetamide,4-bromo-2-chloroacetanilide,acetamide, n-4-bromo-2-chlorophenyl,maybridge3_007422,2-chlor-4-bromacetanilid,acmc-209i8u,buttpark 83\07-60,acetanilide, 4'-bromo-2'-chloro |
| IUPAC Name | N-(4-bromo-2-chlorophenyl)acetamide |
| InChI Key | MITWNEIUIPGZKR-UHFFFAOYSA-N |
| Molecular Formula | C8H7BrClNO |
3-Carboxyphenylboronic acid, 97%
CAS: 25487-66-5 Molecular Formula: C7H7BO4 Molecular Weight (g/mol): 165.94 MDL Number: MFCD00036833 InChI Key: DBVFWZMQJQMJCB-UHFFFAOYSA-N Synonym: 3-carboxyphenylboronic acid,3-dihydroxyboranyl benzoic acid,3-carboxybenzeneboronic acid,m-carboxyphenylboronic acid,3-dihydroxyborane benzoic acid,benzoic acid, 3-borono,3-dihydroxyboryl benzoic acid,3-phenyl ester boronic acid,3-carboxyphenyl boronic acid,3-carboxy-phenyl-boronic acid PubChem CID: 2733957 IUPAC Name: 3-boronobenzoic acid SMILES: OB(O)C1=CC=CC(=C1)C(O)=O
| PubChem CID | 2733957 |
|---|---|
| CAS | 25487-66-5 |
| Molecular Weight (g/mol) | 165.94 |
| MDL Number | MFCD00036833 |
| SMILES | OB(O)C1=CC=CC(=C1)C(O)=O |
| Synonym | 3-carboxyphenylboronic acid,3-dihydroxyboranyl benzoic acid,3-carboxybenzeneboronic acid,m-carboxyphenylboronic acid,3-dihydroxyborane benzoic acid,benzoic acid, 3-borono,3-dihydroxyboryl benzoic acid,3-phenyl ester boronic acid,3-carboxyphenyl boronic acid,3-carboxy-phenyl-boronic acid |
| IUPAC Name | 3-boronobenzoic acid |
| InChI Key | DBVFWZMQJQMJCB-UHFFFAOYSA-N |
| Molecular Formula | C7H7BO4 |
Trimethylolpropane triacrylate, stabilized
CAS: 15625-89-5 Molecular Formula: C15H20O6 Molecular Weight (g/mol): 296.32 MDL Number: MFCD00008628 InChI Key: DAKWPKUUDNSNPN-UHFFFAOYSA-N Synonym: trimethylolpropane triacrylate,tmpta,viscoat 295,nk ester a tmpt,sartomer sr 351,ogumont t 200,saret 351,setalux uv 2241,ccris 92,unii-4b67kgl96s PubChem CID: 27423 ChEBI: CHEBI:35028 IUPAC Name: 2,2-bis(prop-2-enoyloxymethyl)butyl prop-2-enoate SMILES: CCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C
| PubChem CID | 27423 |
|---|---|
| CAS | 15625-89-5 |
| Molecular Weight (g/mol) | 296.32 |
| ChEBI | CHEBI:35028 |
| MDL Number | MFCD00008628 |
| SMILES | CCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C |
| Synonym | trimethylolpropane triacrylate,tmpta,viscoat 295,nk ester a tmpt,sartomer sr 351,ogumont t 200,saret 351,setalux uv 2241,ccris 92,unii-4b67kgl96s |
| IUPAC Name | 2,2-bis(prop-2-enoyloxymethyl)butyl prop-2-enoate |
| InChI Key | DAKWPKUUDNSNPN-UHFFFAOYSA-N |
| Molecular Formula | C15H20O6 |