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Benzoic acid esters

Benzoic acid esters

Aromatic organic compounds that consist of a benzoic acid in which the hydroxyl group's hydrogen atom is replaced by a methyl group or a different organic functional group; also known as benzoates.
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1 – 15 of 17 results
1

n-Propyl 4-hydroxybenzoate, 99+%, Thermo Scientific Chemicals

CAS: 94-13-3 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.203 MDL Number: MFCD00002354 InChI Key: QELSKZZBTMNZEB-UHFFFAOYSA-N Synonym: propylparaben,propyl paraben,4-hydroxybenzoic acid propyl ester,propyl p-hydroxybenzoate,nipasol,nipazol,propyl butex,betacide p,propyl parahydroxybenzoate,propylparasept PubChem CID: 7175 ChEBI: CHEBI:32063 IUPAC Name: propyl 4-hydroxybenzoate SMILES: CCCOC(=O)C1=CC=C(C=C1)O

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PubChem CID 7175
CAS 94-13-3
Molecular Weight (g/mol) 180.203
ChEBI CHEBI:32063
MDL Number MFCD00002354
SMILES CCCOC(=O)C1=CC=C(C=C1)O
Synonym propylparaben,propyl paraben,4-hydroxybenzoic acid propyl ester,propyl p-hydroxybenzoate,nipasol,nipazol,propyl butex,betacide p,propyl parahydroxybenzoate,propylparasept
IUPAC Name propyl 4-hydroxybenzoate
InChI Key QELSKZZBTMNZEB-UHFFFAOYSA-N
Molecular Formula C10H12O3
2

n-Butyl 4-hydroxybenzoate, 99+%, Thermo Scientific Chemicals

CAS: 94-26-8 Molecular Formula: C11H14O3 Molecular Weight (g/mol): 194.23 MDL Number: MFCD00016478 InChI Key: QFOHBWFCKVYLES-UHFFFAOYSA-N Synonym: butylparaben,butyl paraben,butyl p-hydroxybenzoate,nipabutyl,butoben,butyl chemosept,butyl parasept,butyl tegosept,butyl butex,tegosept butyl PubChem CID: 7184 IUPAC Name: butyl 4-hydroxybenzoate SMILES: CCCCOC(=O)C1=CC=C(C=C1)O

PubChem CID 7184
CAS 94-26-8
Molecular Weight (g/mol) 194.23
MDL Number MFCD00016478
SMILES CCCCOC(=O)C1=CC=C(C=C1)O
Synonym butylparaben,butyl paraben,butyl p-hydroxybenzoate,nipabutyl,butoben,butyl chemosept,butyl parasept,butyl tegosept,butyl butex,tegosept butyl
IUPAC Name butyl 4-hydroxybenzoate
InChI Key QFOHBWFCKVYLES-UHFFFAOYSA-N
Molecular Formula C11H14O3
3

Methyl 3,5-dibromo-2-hydroxybenzoate, 98%, Thermo Scientific Chemicals

CAS: 21702-79-4 Molecular Formula: C8H6Br2O3 Molecular Weight (g/mol): 309.94 MDL Number: MFCD00017534 InChI Key: KISQISIKTRRMOX-UHFFFAOYSA-N PubChem CID: 624217 IUPAC Name: methyl 3,5-dibromo-2-hydroxybenzoate SMILES: COC(=O)C1=CC(Br)=CC(Br)=C1O

PubChem CID 624217
CAS 21702-79-4
Molecular Weight (g/mol) 309.94
MDL Number MFCD00017534
SMILES COC(=O)C1=CC(Br)=CC(Br)=C1O
IUPAC Name methyl 3,5-dibromo-2-hydroxybenzoate
InChI Key KISQISIKTRRMOX-UHFFFAOYSA-N
Molecular Formula C8H6Br2O3
4

Methyl 4-aminosalicylate, 97%, Thermo Scientific Chemicals

CAS: 4136-97-4 Molecular Formula: C8H9NO3 Molecular Weight (g/mol): 167.164 MDL Number: MFCD00088091 InChI Key: QQOXBFUTRLDXDP-UHFFFAOYSA-N Synonym: methyl 4-aminosalicylate,methyl p-aminosalicylate,pas methyl ester,p-aminosalicylic acid methyl ester,methyl 4-amino-2-hydroxybenzenecarboxylate,benzoic acid, 4-amino-2-hydroxy-, methyl ester,methyl 4-amino-2-hydroxy-benzoate,salicylic acid, amino-, methyl ester,4-aminosalicylic acid methyl ester,4-amino-2-hydroxy-benzoic acid methyl ester PubChem CID: 77787 ChEBI: CHEBI:35089 IUPAC Name: methyl 4-amino-2-hydroxybenzoate SMILES: COC(=O)C1=C(C=C(C=C1)N)O

PubChem CID 77787
CAS 4136-97-4
Molecular Weight (g/mol) 167.164
ChEBI CHEBI:35089
MDL Number MFCD00088091
SMILES COC(=O)C1=C(C=C(C=C1)N)O
Synonym methyl 4-aminosalicylate,methyl p-aminosalicylate,pas methyl ester,p-aminosalicylic acid methyl ester,methyl 4-amino-2-hydroxybenzenecarboxylate,benzoic acid, 4-amino-2-hydroxy-, methyl ester,methyl 4-amino-2-hydroxy-benzoate,salicylic acid, amino-, methyl ester,4-aminosalicylic acid methyl ester,4-amino-2-hydroxy-benzoic acid methyl ester
IUPAC Name methyl 4-amino-2-hydroxybenzoate
InChI Key QQOXBFUTRLDXDP-UHFFFAOYSA-N
Molecular Formula C8H9NO3
5

Methyl 2,4-dihydroxybenzoate, 97%, Thermo Scientific Chemicals

CAS: 2150-47-2 Molecular Formula: C8H8O4 Molecular Weight (g/mol): 168.148 MDL Number: MFCD00002276 InChI Key: IIFCLXHRIYTHPV-UHFFFAOYSA-N Synonym: 2,4-dihydroxybenzoic acid methyl ester,benzoic acid, 2,4-dihydroxy-, methyl ester,methyl beta-resorcylate,methyl-2,4-dihydroxybenzoate,unii-xe68bu3oyj,xe68bu3oyj,.beta.-resorcylic acid, methyl ester,beta-resorcylic acid methyl ester,methyl benzoate, 2,4-dihydroxy,methyl b-resorcylate PubChem CID: 16523 IUPAC Name: methyl 2,4-dihydroxybenzoate SMILES: COC(=O)C1=C(C=C(C=C1)O)O

PubChem CID 16523
CAS 2150-47-2
Molecular Weight (g/mol) 168.148
MDL Number MFCD00002276
SMILES COC(=O)C1=C(C=C(C=C1)O)O
Synonym 2,4-dihydroxybenzoic acid methyl ester,benzoic acid, 2,4-dihydroxy-, methyl ester,methyl beta-resorcylate,methyl-2,4-dihydroxybenzoate,unii-xe68bu3oyj,xe68bu3oyj,.beta.-resorcylic acid, methyl ester,beta-resorcylic acid methyl ester,methyl benzoate, 2,4-dihydroxy,methyl b-resorcylate
IUPAC Name methyl 2,4-dihydroxybenzoate
InChI Key IIFCLXHRIYTHPV-UHFFFAOYSA-N
Molecular Formula C8H8O4
6

Methyl 5-iodosalicylate, 99%, Thermo Scientific Chemicals

CAS: 4068-75-1 Molecular Formula: C8H7IO3 Molecular Weight (g/mol): 278.045 MDL Number: MFCD00016462 InChI Key: NRSWJTRJHPRZMH-UHFFFAOYSA-N PubChem CID: 248910 IUPAC Name: methyl 2-hydroxy-5-iodobenzoate SMILES: COC(=O)C1=C(C=CC(=C1)I)O

PubChem CID 248910
CAS 4068-75-1
Molecular Weight (g/mol) 278.045
MDL Number MFCD00016462
SMILES COC(=O)C1=C(C=CC(=C1)I)O
IUPAC Name methyl 2-hydroxy-5-iodobenzoate
InChI Key NRSWJTRJHPRZMH-UHFFFAOYSA-N
Molecular Formula C8H7IO3
7

Methyl 5-bromosalicylate, 98+%, Thermo Scientific Chemicals

CAS: 4068-76-2 Molecular Formula: C8H7BrO3 Molecular Weight (g/mol): 231.045 MDL Number: MFCD00016460 InChI Key: FJYDBKPPGRZSOZ-UHFFFAOYSA-N Synonym: methyl 5-bromosalicylate,benzoic acid, 5-bromo-2-hydroxy-, methyl ester,5-bromosalicylic acid methyl ester,methyl 5-bromo-2-hydroxybenzenecarboxylate,methyl 2-hydroxy-5-bromobenzoate,5-bromo-2-hydroxy-benzoic acid methyl ester,methyl5-bromosalicylate,pubchem19740,acmc-1afpq,methyl-5-bromosalicylate PubChem CID: 77683 IUPAC Name: methyl 5-bromo-2-hydroxybenzoate SMILES: COC(=O)C1=C(C=CC(=C1)Br)O

PubChem CID 77683
CAS 4068-76-2
Molecular Weight (g/mol) 231.045
MDL Number MFCD00016460
SMILES COC(=O)C1=C(C=CC(=C1)Br)O
Synonym methyl 5-bromosalicylate,benzoic acid, 5-bromo-2-hydroxy-, methyl ester,5-bromosalicylic acid methyl ester,methyl 5-bromo-2-hydroxybenzenecarboxylate,methyl 2-hydroxy-5-bromobenzoate,5-bromo-2-hydroxy-benzoic acid methyl ester,methyl5-bromosalicylate,pubchem19740,acmc-1afpq,methyl-5-bromosalicylate
IUPAC Name methyl 5-bromo-2-hydroxybenzoate
InChI Key FJYDBKPPGRZSOZ-UHFFFAOYSA-N
Molecular Formula C8H7BrO3
8

Methyl 3-chloro-4-hydroxybenzoate, 98%, Thermo Scientific™

CAS: 3964-57-6 Molecular Formula: C8H7ClO3 Molecular Weight (g/mol): 186.59 MDL Number: MFCD00016418 InChI Key: ZSBIMTDWIGWJPW-UHFFFAOYSA-N Synonym: 3-chloro-4-hydroxybenzoic acid methyl ester,benzoic acid, 3-chloro-4-hydroxy-, methyl ester,methyl 3-chloro-4-hydroxy benzoate,methyl 3-chloro-4-hydroxy-benzoate,3-chloro-4-hydroxy benzoic acid methyl ester,methyl3-chloro-4-hydroxybenzoate,acmc-1ah4x,methyl 3-chloro-4 hydroxybenzoate,methyl 4-hydroxy-3-chlorobenzoate,methyl-4-hydroxy-3-chlorobenzoate PubChem CID: 77580 IUPAC Name: methyl 3-chloro-4-hydroxybenzoate SMILES: COC(=O)C1=CC=C(O)C(Cl)=C1

PubChem CID 77580
CAS 3964-57-6
Molecular Weight (g/mol) 186.59
MDL Number MFCD00016418
SMILES COC(=O)C1=CC=C(O)C(Cl)=C1
Synonym 3-chloro-4-hydroxybenzoic acid methyl ester,benzoic acid, 3-chloro-4-hydroxy-, methyl ester,methyl 3-chloro-4-hydroxy benzoate,methyl 3-chloro-4-hydroxy-benzoate,3-chloro-4-hydroxy benzoic acid methyl ester,methyl3-chloro-4-hydroxybenzoate,acmc-1ah4x,methyl 3-chloro-4 hydroxybenzoate,methyl 4-hydroxy-3-chlorobenzoate,methyl-4-hydroxy-3-chlorobenzoate
IUPAC Name methyl 3-chloro-4-hydroxybenzoate
InChI Key ZSBIMTDWIGWJPW-UHFFFAOYSA-N
Molecular Formula C8H7ClO3
9

Ethyl 3,5-dichloro-4-hydroxybenzoate, 99%, Thermo Scientific™

CAS: 17302-82-8 Molecular Formula: C9H8Cl2O3 Molecular Weight (g/mol): 235.06 MDL Number: MFCD00016420 InChI Key: WMKNGSJJEMFQOT-UHFFFAOYSA-N Synonym: 3,5-dichloro-4-hydroxybenzoic acid ethyl ester,benzoic acid, 3,5-dichloro-4-hydroxy-, ethyl ester,3,5-dichloro-4-hydroxy-benzoic acid ethyl ester,acmc-209e5q,3-10-00-00363 beilstein handbook reference,wln: qr bg fg dvo2,ethyl 3,5-dichloro-4-hydroxy-benzoate,ethyl 3,5-bis chloranyl-4-oxidanyl-benzoate,benzoic acid,5-dichloro-4-hydroxy-, ethyl ester PubChem CID: 28460 IUPAC Name: ethyl 3,5-dichloro-4-hydroxybenzoate SMILES: CCOC(=O)C1=CC(=C(C(=C1)Cl)O)Cl

PubChem CID 28460
CAS 17302-82-8
Molecular Weight (g/mol) 235.06
MDL Number MFCD00016420
SMILES CCOC(=O)C1=CC(=C(C(=C1)Cl)O)Cl
Synonym 3,5-dichloro-4-hydroxybenzoic acid ethyl ester,benzoic acid, 3,5-dichloro-4-hydroxy-, ethyl ester,3,5-dichloro-4-hydroxy-benzoic acid ethyl ester,acmc-209e5q,3-10-00-00363 beilstein handbook reference,wln: qr bg fg dvo2,ethyl 3,5-dichloro-4-hydroxy-benzoate,ethyl 3,5-bis chloranyl-4-oxidanyl-benzoate,benzoic acid,5-dichloro-4-hydroxy-, ethyl ester
IUPAC Name ethyl 3,5-dichloro-4-hydroxybenzoate
InChI Key WMKNGSJJEMFQOT-UHFFFAOYSA-N
Molecular Formula C9H8Cl2O3
10

n-Octyl 4-hydroxybenzoate, 98%, Thermo Scientific Chemicals

CAS: 1219-38-1 Molecular Formula: C15H22O3 Molecular Weight (g/mol): 250.34 MDL Number: MFCD00016482 InChI Key: RIKCMEDSBFQFAL-UHFFFAOYSA-N Synonym: octylparaben,n-octyl 4-hydroxybenzoate,octyl paraben,octyl p-hydroxybenzoate,p-hydroxybenzoic acid octyl ester,benzoic acid, 4-hydroxy-, octyl ester,p-oxybenzoesaureoctylester,4-hydroxybenzoic acid n-octyl ester,unii-4uvk431k6b,p-oxybenzoesaureoctylester german PubChem CID: 14642 IUPAC Name: octyl 4-hydroxybenzoate SMILES: CCCCCCCCOC(=O)C1=CC=C(O)C=C1

PubChem CID 14642
CAS 1219-38-1
Molecular Weight (g/mol) 250.34
MDL Number MFCD00016482
SMILES CCCCCCCCOC(=O)C1=CC=C(O)C=C1
Synonym octylparaben,n-octyl 4-hydroxybenzoate,octyl paraben,octyl p-hydroxybenzoate,p-hydroxybenzoic acid octyl ester,benzoic acid, 4-hydroxy-, octyl ester,p-oxybenzoesaureoctylester,4-hydroxybenzoic acid n-octyl ester,unii-4uvk431k6b,p-oxybenzoesaureoctylester german
IUPAC Name octyl 4-hydroxybenzoate
InChI Key RIKCMEDSBFQFAL-UHFFFAOYSA-N
Molecular Formula C15H22O3
11

Methyl 5-chloro-2-hydroxybenzoate, 97%, Thermo Scientific™

CAS: 4068-78-4 Molecular Formula: C8H7ClO3 Molecular Weight (g/mol): 186.591 MDL Number: MFCD00016461 InChI Key: KJWHRMZKJXOWFC-UHFFFAOYSA-N Synonym: methyl 5-chlorosalicylate,benzoic acid, 5-chloro-2-hydroxy-, methyl ester,rarechem al bf 0041,5-chloro-2-hydeoxybenzoic acid methyl ester,5-chloro-2-hydroxybenzoic acid methyl ester,acmc-209uvv,methyl-5-chlorosalicylate,methyl 5-chloro-salicylate,methyl-5-chloro-salicylate,5-chlorosalicylic methyl ester PubChem CID: 77684 IUPAC Name: methyl 5-chloro-2-hydroxybenzoate SMILES: COC(=O)C1=C(C=CC(=C1)Cl)O

PubChem CID 77684
CAS 4068-78-4
Molecular Weight (g/mol) 186.591
MDL Number MFCD00016461
SMILES COC(=O)C1=C(C=CC(=C1)Cl)O
Synonym methyl 5-chlorosalicylate,benzoic acid, 5-chloro-2-hydroxy-, methyl ester,rarechem al bf 0041,5-chloro-2-hydeoxybenzoic acid methyl ester,5-chloro-2-hydroxybenzoic acid methyl ester,acmc-209uvv,methyl-5-chlorosalicylate,methyl 5-chloro-salicylate,methyl-5-chloro-salicylate,5-chlorosalicylic methyl ester
IUPAC Name methyl 5-chloro-2-hydroxybenzoate
InChI Key KJWHRMZKJXOWFC-UHFFFAOYSA-N
Molecular Formula C8H7ClO3
12

Methyl 3,5-dibromo-2,4-dihydroxy-6-methylbenzoate, 99%, Thermo Scientific™

CAS: 715-33-3 Molecular Formula: C9H8Br2O4 Molecular Weight (g/mol): 339.97 MDL Number: MFCD00082715 InChI Key: OKALYLLBFOYLQB-UHFFFAOYSA-N Synonym: 3,5-dibromo-2,4-dihydroxy-6-methylbenzoic acid methyl ester,methyl3,5-dibromo-2,4-dihydroxy-6-methylbenzoate PubChem CID: 4121774 IUPAC Name: methyl 3,5-dibromo-2,4-dihydroxy-6-methylbenzoate SMILES: COC(=O)C1=C(C)C(Br)=C(O)C(Br)=C1O

PubChem CID 4121774
CAS 715-33-3
Molecular Weight (g/mol) 339.97
MDL Number MFCD00082715
SMILES COC(=O)C1=C(C)C(Br)=C(O)C(Br)=C1O
Synonym 3,5-dibromo-2,4-dihydroxy-6-methylbenzoic acid methyl ester,methyl3,5-dibromo-2,4-dihydroxy-6-methylbenzoate
IUPAC Name methyl 3,5-dibromo-2,4-dihydroxy-6-methylbenzoate
InChI Key OKALYLLBFOYLQB-UHFFFAOYSA-N
Molecular Formula C9H8Br2O4
13

Methyl 3-fluoro-4-hydroxybenzoate, 98%, Thermo Scientific Chemicals

CAS: 403-01-0 Molecular Formula: C8H7FO3 Molecular Weight (g/mol): 170.14 MDL Number: MFCD00215838 InChI Key: IYUSGKSCDUJSKS-UHFFFAOYSA-N PubChem CID: 7019368 IUPAC Name: methyl 3-fluoro-4-hydroxybenzoate SMILES: COC(=O)C1=CC=C(O)C(F)=C1

PubChem CID 7019368
CAS 403-01-0
Molecular Weight (g/mol) 170.14
MDL Number MFCD00215838
SMILES COC(=O)C1=CC=C(O)C(F)=C1
IUPAC Name methyl 3-fluoro-4-hydroxybenzoate
InChI Key IYUSGKSCDUJSKS-UHFFFAOYSA-N
Molecular Formula C8H7FO3
14

Methyl 4-fluorosalicylate, 98+%, Thermo Scientific™

CAS: 392-04-1 Molecular Formula: C8H7FO3 Molecular Weight (g/mol): 170.139 MDL Number: MFCD02093965 InChI Key: WPWUDDDJTIZBGL-UHFFFAOYSA-N PubChem CID: 2775386 IUPAC Name: methyl 4-fluoro-2-hydroxybenzoate SMILES: COC(=O)C1=C(C=C(C=C1)F)O

PubChem CID 2775386
CAS 392-04-1
Molecular Weight (g/mol) 170.139
MDL Number MFCD02093965
SMILES COC(=O)C1=C(C=C(C=C1)F)O
IUPAC Name methyl 4-fluoro-2-hydroxybenzoate
InChI Key WPWUDDDJTIZBGL-UHFFFAOYSA-N
Molecular Formula C8H7FO3
15

Methyl 3-hydroxy-4-iodobenzoate, 97%, Thermo Scientific™

CAS: 157942-12-6 Molecular Formula: C8H7IO3 Molecular Weight (g/mol): 278.045 MDL Number: MFCD06203960 InChI Key: LXCQVWRESZDFGW-UHFFFAOYSA-N Synonym: methyl-4-iodo-3-hydroxy benzoate,3-hydroxy-4-iodobenzoic acid methyl ester,3-hydroxy-4-iodo-benzoic acid methyl ester,methyl 3-hydroxy-4-iodobenzenecarboxylate,benzoic acid, 3-hydroxy-4-iodo-, methyl ester,rarechem al bf 0964,methyl 3-hydroxy4-iodobenzoate,methyl 4-iodo-3-hydroxybenzoate,methyl-3-hydroxy-4-iodobenzoate,methyl-4-iodo-3-hydroxybenzoate PubChem CID: 10378812 IUPAC Name: methyl 3-hydroxy-4-iodobenzoate SMILES: COC(=O)C1=CC(=C(C=C1)I)O

PubChem CID 10378812
CAS 157942-12-6
Molecular Weight (g/mol) 278.045
MDL Number MFCD06203960
SMILES COC(=O)C1=CC(=C(C=C1)I)O
Synonym methyl-4-iodo-3-hydroxy benzoate,3-hydroxy-4-iodobenzoic acid methyl ester,3-hydroxy-4-iodo-benzoic acid methyl ester,methyl 3-hydroxy-4-iodobenzenecarboxylate,benzoic acid, 3-hydroxy-4-iodo-, methyl ester,rarechem al bf 0964,methyl 3-hydroxy4-iodobenzoate,methyl 4-iodo-3-hydroxybenzoate,methyl-3-hydroxy-4-iodobenzoate,methyl-4-iodo-3-hydroxybenzoate
IUPAC Name methyl 3-hydroxy-4-iodobenzoate
InChI Key LXCQVWRESZDFGW-UHFFFAOYSA-N
Molecular Formula C8H7IO3