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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

Ethyl 3,4-dihydroxybenzoate, 97%

CAS: 3943-89-3 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.18 MDL Number: MFCD00002199 InChI Key: KBPUBCVJHFXPOC-UHFFFAOYSA-N Synonym: ethyl protocatechuate,3,4-dihydroxybenzoic acid ethyl ester,ethyl-3,4-dihydroxybenzoate,unii-4ygj96wtbg,benzoic acid, 3,4-dihydroxy-, ethyl ester,edhb,protocatechuic acid ethyl ester,4ygj96wtbg,3,4-dihydroxy-benzoic acid ethyl ester PubChem CID: 77547 IUPAC Name: ethyl 3,4-dihydroxybenzoate SMILES: CCOC(=O)C1=CC=C(O)C(O)=C1

EDGE
PubChem CID 77547
CAS 3943-89-3
Molecular Weight (g/mol) 182.18
MDL Number MFCD00002199
SMILES CCOC(=O)C1=CC=C(O)C(O)=C1
Synonym ethyl protocatechuate,3,4-dihydroxybenzoic acid ethyl ester,ethyl-3,4-dihydroxybenzoate,unii-4ygj96wtbg,benzoic acid, 3,4-dihydroxy-, ethyl ester,edhb,protocatechuic acid ethyl ester,4ygj96wtbg,3,4-dihydroxy-benzoic acid ethyl ester
IUPAC Name ethyl 3,4-dihydroxybenzoate
InChI Key KBPUBCVJHFXPOC-UHFFFAOYSA-N
Molecular Formula C9H10O4
2

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
3

Ethyl 3,4-dihydroxybenzoate, 98%

CAS: 3943-89-3 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.18 MDL Number: MFCD00002199 InChI Key: KBPUBCVJHFXPOC-UHFFFAOYSA-N Synonym: ethyl protocatechuate,3,4-dihydroxybenzoic acid ethyl ester,ethyl-3,4-dihydroxybenzoate,unii-4ygj96wtbg,benzoic acid, 3,4-dihydroxy-, ethyl ester,edhb,protocatechuic acid ethyl ester,4ygj96wtbg,3,4-dihydroxy-benzoic acid ethyl ester PubChem CID: 77547 IUPAC Name: ethyl 3,4-dihydroxybenzoate SMILES: CCOC(=O)C1=CC=C(O)C(O)=C1

PubChem CID 77547
CAS 3943-89-3
Molecular Weight (g/mol) 182.18
MDL Number MFCD00002199
SMILES CCOC(=O)C1=CC=C(O)C(O)=C1
Synonym ethyl protocatechuate,3,4-dihydroxybenzoic acid ethyl ester,ethyl-3,4-dihydroxybenzoate,unii-4ygj96wtbg,benzoic acid, 3,4-dihydroxy-, ethyl ester,edhb,protocatechuic acid ethyl ester,4ygj96wtbg,3,4-dihydroxy-benzoic acid ethyl ester
IUPAC Name ethyl 3,4-dihydroxybenzoate
InChI Key KBPUBCVJHFXPOC-UHFFFAOYSA-N
Molecular Formula C9H10O4
4

Methyl 4-iodosalicylate, 98%

CAS: 18179-39-0 Molecular Formula: C8H7IO3 Molecular Weight (g/mol): 278.045 MDL Number: MFCD06797864 InChI Key: WUFUURSWOJROKY-UHFFFAOYSA-N Synonym: methyl 4-iodosalicylate,2-hydroxy-4-iodobenzoic acid methyl ester,benzoic acid,2-hydroxy-4-iodo-, methyl ester,methyl-4-iodosalicylate,methyl 4-iodosalicyclate,acmc-1c81e,methyl2-hydroxy-4-iodobenzoate,methyl 4-iodo-2-hydroxybenzoate,methyl-2-hydroxy-4-iodo-benzoate PubChem CID: 11380407 IUPAC Name: methyl 2-hydroxy-4-iodobenzoate SMILES: COC(=O)C1=C(C=C(C=C1)I)O

PubChem CID 11380407
CAS 18179-39-0
Molecular Weight (g/mol) 278.045
MDL Number MFCD06797864
SMILES COC(=O)C1=C(C=C(C=C1)I)O
Synonym methyl 4-iodosalicylate,2-hydroxy-4-iodobenzoic acid methyl ester,benzoic acid,2-hydroxy-4-iodo-, methyl ester,methyl-4-iodosalicylate,methyl 4-iodosalicyclate,acmc-1c81e,methyl2-hydroxy-4-iodobenzoate,methyl 4-iodo-2-hydroxybenzoate,methyl-2-hydroxy-4-iodo-benzoate
IUPAC Name methyl 2-hydroxy-4-iodobenzoate
InChI Key WUFUURSWOJROKY-UHFFFAOYSA-N
Molecular Formula C8H7IO3
5

n-Heptyl 4-hydroxybenzoate, 98%

CAS: 1085-12-7 Molecular Formula: C14H20O3 Molecular Weight (g/mol): 236.31 MDL Number: MFCD00016481 InChI Key: ZTJORNVITHUQJA-UHFFFAOYSA-N Synonym: heptylparaben,heptyl paraben,heptyl p-hydroxybenzoate,n-heptyl 4-hydroxybenzoate,nipaheptyl,staypro ws 7,n-heptyl p-hydroxybenzoate,benzoic acid, 4-hydroxy-, heptyl ester,p-hydroxybenzoic acid heptyl ester,p-oxybenzoesaureheptylester PubChem CID: 14138 ChEBI: CHEBI:34788 IUPAC Name: heptyl 4-hydroxybenzoate SMILES: CCCCCCCOC(=O)C1=CC=C(O)C=C1

PubChem CID 14138
CAS 1085-12-7
Molecular Weight (g/mol) 236.31
ChEBI CHEBI:34788
MDL Number MFCD00016481
SMILES CCCCCCCOC(=O)C1=CC=C(O)C=C1
Synonym heptylparaben,heptyl paraben,heptyl p-hydroxybenzoate,n-heptyl 4-hydroxybenzoate,nipaheptyl,staypro ws 7,n-heptyl p-hydroxybenzoate,benzoic acid, 4-hydroxy-, heptyl ester,p-hydroxybenzoic acid heptyl ester,p-oxybenzoesaureheptylester
IUPAC Name heptyl 4-hydroxybenzoate
InChI Key ZTJORNVITHUQJA-UHFFFAOYSA-N
Molecular Formula C14H20O3
6

Methyl 3,5-di-tert-butyl-4-hydroxybenzoate, 98%

CAS: 2511-22-0 Molecular Formula: C16H24O3 Molecular Weight (g/mol): 264.37 MDL Number: MFCD00017253 InChI Key: UPVYFJALDJUSOV-UHFFFAOYSA-N Synonym: methyl 3,5-di-tert-butyl-4-hydroxybenzoate,benzoic acid, 3,5-bis 1,1-dimethylethyl-4-hydroxy-, methyl ester,3,5-di-tert-butyl-4-hydroxybenzoic acid methyl ester,3,5-bis 1,1-dimethylethyl-4-hydroxy-benzoic acid ethyl ester,acmc-20akhp,methyl 3,5-bis-tert-butyl-4-hydroxybenzoate,benzoic acid, 3,5-di-tert-butyl-4-hydroxy-, methyl ester,methyl 3,5-di-tert.butyl-4-hydroxylbenzoate,methyl 3,5-bis tert-butyl-4-hydroxybenzoate PubChem CID: 75639 IUPAC Name: methyl 3,5-ditert-butyl-4-hydroxybenzoate SMILES: COC(=O)C1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C

PubChem CID 75639
CAS 2511-22-0
Molecular Weight (g/mol) 264.37
MDL Number MFCD00017253
SMILES COC(=O)C1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C
Synonym methyl 3,5-di-tert-butyl-4-hydroxybenzoate,benzoic acid, 3,5-bis 1,1-dimethylethyl-4-hydroxy-, methyl ester,3,5-di-tert-butyl-4-hydroxybenzoic acid methyl ester,3,5-bis 1,1-dimethylethyl-4-hydroxy-benzoic acid ethyl ester,acmc-20akhp,methyl 3,5-bis-tert-butyl-4-hydroxybenzoate,benzoic acid, 3,5-di-tert-butyl-4-hydroxy-, methyl ester,methyl 3,5-di-tert.butyl-4-hydroxylbenzoate,methyl 3,5-bis tert-butyl-4-hydroxybenzoate
IUPAC Name methyl 3,5-ditert-butyl-4-hydroxybenzoate
InChI Key UPVYFJALDJUSOV-UHFFFAOYSA-N
Molecular Formula C16H24O3
7

Methyl 2,6-dihydroxybenzoate, 97%, Thermo Scientific™

CAS: 2150-45-0 Molecular Formula: C8H8O4 Molecular Weight (g/mol): 168.15 MDL Number: MFCD00059619 InChI Key: WCQZCKUNZVMBDC-UHFFFAOYSA-N Synonym: 2,6-dihydroxybenzoic acid methyl ester,benzoic acid, 2,6-dihydroxy-, methyl ester,.gamma.-resorcylic acid, methyl ester,acmc-209fl9,2-methoxycarbonyl resorcinol,methyl 2,6-dihydroxy benzoate,gamma-resorcylic acid methyl ester,methyl 2,6-dihydroxybenzoate,methyl-2,6-dihydroxybenzoate,2-methoxycarbonyl benzene-1,3-diol PubChem CID: 519869 IUPAC Name: methyl 2,6-dihydroxybenzoate SMILES: COC(=O)C1=C(O)C=CC=C1O

PubChem CID 519869
CAS 2150-45-0
Molecular Weight (g/mol) 168.15
MDL Number MFCD00059619
SMILES COC(=O)C1=C(O)C=CC=C1O
Synonym 2,6-dihydroxybenzoic acid methyl ester,benzoic acid, 2,6-dihydroxy-, methyl ester,.gamma.-resorcylic acid, methyl ester,acmc-209fl9,2-methoxycarbonyl resorcinol,methyl 2,6-dihydroxy benzoate,gamma-resorcylic acid methyl ester,methyl 2,6-dihydroxybenzoate,methyl-2,6-dihydroxybenzoate,2-methoxycarbonyl benzene-1,3-diol
IUPAC Name methyl 2,6-dihydroxybenzoate
InChI Key WCQZCKUNZVMBDC-UHFFFAOYSA-N
Molecular Formula C8H8O4
8

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
9

Methyl 3-fluoro-4-hydroxybenzoate, 98%

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
10

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