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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

2-Hydroxyethyl salicylate, 98+%, Thermo Scientific Chemicals

CAS: 87-28-5 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.18 MDL Number: MFCD00002862 InChI Key: LVYLCBNXHHHPSB-UHFFFAOYSA-N Synonym: 2-hydroxyethyl salicylate,glycol salicylate,ethylene glycol monosalicylate,espirosal,glycol monosalicylate,rheumacyl,sarocol,spirosal,glysal,phlogont PubChem CID: 6880 ChEBI: CHEBI:86541 IUPAC Name: 2-hydroxyethyl 2-hydroxybenzoate SMILES: OCCOC(=O)C1=CC=CC=C1O

PubChem CID 6880
CAS 87-28-5
Molecular Weight (g/mol) 182.18
ChEBI CHEBI:86541
MDL Number MFCD00002862
SMILES OCCOC(=O)C1=CC=CC=C1O
Synonym 2-hydroxyethyl salicylate,glycol salicylate,ethylene glycol monosalicylate,espirosal,glycol monosalicylate,rheumacyl,sarocol,spirosal,glysal,phlogont
IUPAC Name 2-hydroxyethyl 2-hydroxybenzoate
InChI Key LVYLCBNXHHHPSB-UHFFFAOYSA-N
Molecular Formula C9H10O4
2

Methyl 2-fluoro-4-hydroxybenzoate, 98%

CAS: 197507-22-5 Molecular Formula: C8H7FO3 Molecular Weight (g/mol): 170.139 MDL Number: MFCD09038282 InChI Key: WYSPMXSNCAFCFV-UHFFFAOYSA-N Synonym: 2-fluoro-4-hydroxy-benzoic acid methyl ester,2-fluoro-4-hydroxybenzoic acid methyl ester,benzoic acid, 2-fluoro-4-hydroxy-, methyl ester,methyl-2-fluoro4-hydroxybenzoate,methyl2-fluoro-4-hydroxybenzoate,methyl-2-fluoro-4-hydroxybenzoate,methyl 2-fluoro-4-hydroxy-benzoate,2-fluoro-4-hyroxybenzoic acid methyl ester PubChem CID: 22463192 IUPAC Name: methyl 2-fluoro-4-hydroxybenzoate SMILES: COC(=O)C1=C(C=C(C=C1)O)F

PubChem CID 22463192
CAS 197507-22-5
Molecular Weight (g/mol) 170.139
MDL Number MFCD09038282
SMILES COC(=O)C1=C(C=C(C=C1)O)F
Synonym 2-fluoro-4-hydroxy-benzoic acid methyl ester,2-fluoro-4-hydroxybenzoic acid methyl ester,benzoic acid, 2-fluoro-4-hydroxy-, methyl ester,methyl-2-fluoro4-hydroxybenzoate,methyl2-fluoro-4-hydroxybenzoate,methyl-2-fluoro-4-hydroxybenzoate,methyl 2-fluoro-4-hydroxy-benzoate,2-fluoro-4-hyroxybenzoic acid methyl ester
IUPAC Name methyl 2-fluoro-4-hydroxybenzoate
InChI Key WYSPMXSNCAFCFV-UHFFFAOYSA-N
Molecular Formula C8H7FO3
3

Methyl 2-hydroxy-3-methylbenzoate, 97%

CAS: 23287-26-5 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00020051 InChI Key: SUHLUMKZPUMAFP-UHFFFAOYSA-N Synonym: methyl 3-methylsalicylate,methyl o-cresotinate,benzoic acid, 2-hydroxy-3-methyl-, methyl ester,levegal pt,2-hydroxy-3-methylbenzoic acid methyl ester,2,3-cresotic acid, methyl ester,methyl-3-methylsalicylate,methyl 2-hydroxy-3-methyl-benzoate,methyl o-cresotate,3-methylsalicylic acid methyl ester PubChem CID: 31835 IUPAC Name: methyl 2-hydroxy-3-methylbenzoate SMILES: COC(=O)C1=CC=CC(C)=C1O

PubChem CID 31835
CAS 23287-26-5
Molecular Weight (g/mol) 166.18
MDL Number MFCD00020051
SMILES COC(=O)C1=CC=CC(C)=C1O
Synonym methyl 3-methylsalicylate,methyl o-cresotinate,benzoic acid, 2-hydroxy-3-methyl-, methyl ester,levegal pt,2-hydroxy-3-methylbenzoic acid methyl ester,2,3-cresotic acid, methyl ester,methyl-3-methylsalicylate,methyl 2-hydroxy-3-methyl-benzoate,methyl o-cresotate,3-methylsalicylic acid methyl ester
IUPAC Name methyl 2-hydroxy-3-methylbenzoate
InChI Key SUHLUMKZPUMAFP-UHFFFAOYSA-N
Molecular Formula C9H10O3
4

Methyl 3,5-dibromo-2-hydroxybenzoate, 98%

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
6

Methyl salicylate, 99%

CAS: 119-36-8 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00002214 InChI Key: OSWPMRLSEDHDFF-UHFFFAOYSA-N Synonym: methyl salicylate,wintergreen oil,gaultheria oil,betula oil,teaberry oil,sweet birch oil,oil of wintergreen,analgit,spicewood oil,2-hydroxybenzoic acid methyl ester PubChem CID: 4133 ChEBI: CHEBI:31832 IUPAC Name: methyl 2-hydroxybenzoate SMILES: COC(=O)C1=CC=CC=C1O

EDGE
PubChem CID 4133
CAS 119-36-8
Molecular Weight (g/mol) 152.15
ChEBI CHEBI:31832
MDL Number MFCD00002214
SMILES COC(=O)C1=CC=CC=C1O
Synonym methyl salicylate,wintergreen oil,gaultheria oil,betula oil,teaberry oil,sweet birch oil,oil of wintergreen,analgit,spicewood oil,2-hydroxybenzoic acid methyl ester
IUPAC Name methyl 2-hydroxybenzoate
InChI Key OSWPMRLSEDHDFF-UHFFFAOYSA-N
Molecular Formula C8H8O3
7

Methyl salicylate, 98%

CAS: 119-36-8 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.149 MDL Number: MFCD00002214 InChI Key: OSWPMRLSEDHDFF-UHFFFAOYSA-N Synonym: methyl salicylate,wintergreen oil,gaultheria oil,betula oil,teaberry oil,sweet birch oil,oil of wintergreen,analgit,spicewood oil,2-hydroxybenzoic acid methyl ester PubChem CID: 4133 ChEBI: CHEBI:31832 IUPAC Name: methyl 2-hydroxybenzoate SMILES: COC(=O)C1=CC=CC=C1O

EDGE
PubChem CID 4133
CAS 119-36-8
Molecular Weight (g/mol) 152.149
ChEBI CHEBI:31832
MDL Number MFCD00002214
SMILES COC(=O)C1=CC=CC=C1O
Synonym methyl salicylate,wintergreen oil,gaultheria oil,betula oil,teaberry oil,sweet birch oil,oil of wintergreen,analgit,spicewood oil,2-hydroxybenzoic acid methyl ester
IUPAC Name methyl 2-hydroxybenzoate
InChI Key OSWPMRLSEDHDFF-UHFFFAOYSA-N
Molecular Formula C8H8O3
8

Benzyl salicylate, 99%

CAS: 118-58-1 Molecular Formula: C14H12O3 Molecular Weight (g/mol): 228.247 MDL Number: MFCD00020034 InChI Key: ZCTQGTTXIYCGGC-UHFFFAOYSA-N Synonym: benzyl salicylate,benzyl o-hydroxybenzoate,salicylic acid, benzyl ester,benzoic acid, 2-hydroxy-, phenylmethyl ester,phenylmethyl 2-hydroxybenzoate,salicylic acid benzyl ester,salicyclic acid, benzyl ester,salicylsaeurebenzylester,unii-wao5mnk9tu,salicyclic acid benzyl ester PubChem CID: 8363 IUPAC Name: benzyl 2-hydroxybenzoate SMILES: C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2O

EDGE
PubChem CID 8363
CAS 118-58-1
Molecular Weight (g/mol) 228.247
MDL Number MFCD00020034
SMILES C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2O
Synonym benzyl salicylate,benzyl o-hydroxybenzoate,salicylic acid, benzyl ester,benzoic acid, 2-hydroxy-, phenylmethyl ester,phenylmethyl 2-hydroxybenzoate,salicylic acid benzyl ester,salicyclic acid, benzyl ester,salicylsaeurebenzylester,unii-wao5mnk9tu,salicyclic acid benzyl ester
IUPAC Name benzyl 2-hydroxybenzoate
InChI Key ZCTQGTTXIYCGGC-UHFFFAOYSA-N
Molecular Formula C14H12O3
9

Propyl 4-hydroxybenzoate, 99+%

CAS: 94-13-3 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.2 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

EDGE
PubChem CID 7175
CAS 94-13-3
Molecular Weight (g/mol) 180.2
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
10

Ethyl 4-hydroxybenzoate, 99%

CAS: 120-47-8 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00002353 InChI Key: NUVBSKCKDOMJSU-UHFFFAOYSA-N Synonym: ethylparaben,ethyl paraben,ethyl p-hydroxybenzoate,mycocten,ethyl parasept,4-hydroxybenzoic acid ethyl ester,easeptol,ethyl butex,ethyl parahydroxybenzoate,tegosept e PubChem CID: 8434 ChEBI: CHEBI:86616 IUPAC Name: ethyl 4-hydroxybenzoate SMILES: CCOC(=O)C1=CC=C(C=C1)O

EDGE
PubChem CID 8434
CAS 120-47-8
Molecular Weight (g/mol) 166.18
ChEBI CHEBI:86616
MDL Number MFCD00002353
SMILES CCOC(=O)C1=CC=C(C=C1)O
Synonym ethylparaben,ethyl paraben,ethyl p-hydroxybenzoate,mycocten,ethyl parasept,4-hydroxybenzoic acid ethyl ester,easeptol,ethyl butex,ethyl parahydroxybenzoate,tegosept e
IUPAC Name ethyl 4-hydroxybenzoate
InChI Key NUVBSKCKDOMJSU-UHFFFAOYSA-N
Molecular Formula C9H10O3
11

Isopropyl salicylate, 99%

CAS: 607-85-2 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.203 MDL Number: MFCD00035703 InChI Key: YEULQIJMIOWCHB-UHFFFAOYSA-N Synonym: isopropyl salicylate,isopropyl 2-hydroxybenzoate,salicylic acid, isopropyl ester,iso-propyl salicylate,salicylic acid isopropyl ester,isopropyl o-hydroxybenzoate,benzoic acid, 2-hydroxy-, 1-methylethyl ester,1-methylethyl 2-hydroxybenzoate,methylethyl 2-hydroxybenzoate,opropyl salicylate PubChem CID: 11838 ChEBI: CHEBI:38703 IUPAC Name: propan-2-yl 2-hydroxybenzoate SMILES: CC(C)OC(=O)C1=CC=CC=C1O

PubChem CID 11838
CAS 607-85-2
Molecular Weight (g/mol) 180.203
ChEBI CHEBI:38703
MDL Number MFCD00035703
SMILES CC(C)OC(=O)C1=CC=CC=C1O
Synonym isopropyl salicylate,isopropyl 2-hydroxybenzoate,salicylic acid, isopropyl ester,iso-propyl salicylate,salicylic acid isopropyl ester,isopropyl o-hydroxybenzoate,benzoic acid, 2-hydroxy-, 1-methylethyl ester,1-methylethyl 2-hydroxybenzoate,methylethyl 2-hydroxybenzoate,opropyl salicylate
IUPAC Name propan-2-yl 2-hydroxybenzoate
InChI Key YEULQIJMIOWCHB-UHFFFAOYSA-N
Molecular Formula C10H12O3
12

Isopropyl salicylate, 99%

CAS: 607-85-2 MDL Number: MFCD00035703 InChI Key: YEULQIJMIOWCHB-UHFFFAOYSA-N Synonym: isopropyl salicylate,isopropyl 2-hydroxybenzoate,salicylic acid, isopropyl ester,iso-propyl salicylate,salicylic acid isopropyl ester,isopropyl o-hydroxybenzoate,benzoic acid, 2-hydroxy-, 1-methylethyl ester,1-methylethyl 2-hydroxybenzoate,methylethyl 2-hydroxybenzoate,opropyl salicylate PubChem CID: 11838 ChEBI: CHEBI:38703 IUPAC Name: propan-2-yl 2-hydroxybenzoate SMILES: CC(C)OC(=O)C1=CC=CC=C1O

PubChem CID 11838
CAS 607-85-2
ChEBI CHEBI:38703
MDL Number MFCD00035703
SMILES CC(C)OC(=O)C1=CC=CC=C1O
Synonym isopropyl salicylate,isopropyl 2-hydroxybenzoate,salicylic acid, isopropyl ester,iso-propyl salicylate,salicylic acid isopropyl ester,isopropyl o-hydroxybenzoate,benzoic acid, 2-hydroxy-, 1-methylethyl ester,1-methylethyl 2-hydroxybenzoate,methylethyl 2-hydroxybenzoate,opropyl salicylate
IUPAC Name propan-2-yl 2-hydroxybenzoate
InChI Key YEULQIJMIOWCHB-UHFFFAOYSA-N
14

Methyl 3-aminosalicylate, 97%

CAS: 35748-34-6 Molecular Formula: C8H9NO3 Molecular Weight (g/mol): 167.16 MDL Number: MFCD09842614 InChI Key: OMWQHVRUXLRZRC-UHFFFAOYSA-N Synonym: 3-amino-2-hydroxybenzoic acid methyl ester,benzoic acid, 3-amino-2-hydroxy-, methyl ester,methyl 3-aminosalicylate,methyl3-amino-2-hydroxybenzoate,2-amino-6-methoxycarbonyl phenol,2-hydroxy-3-methoxycarbonyl aniline,methyl-m-aminosalicylat,acmc-209wuz,methyl-3-aminosalicylate,aminohydroxy-benzoic methyl ester PubChem CID: 12782444 IUPAC Name: methyl 3-amino-2-hydroxybenzoate SMILES: COC(=O)C1=C(O)C(N)=CC=C1

PubChem CID 12782444
CAS 35748-34-6
Molecular Weight (g/mol) 167.16
MDL Number MFCD09842614
SMILES COC(=O)C1=C(O)C(N)=CC=C1
Synonym 3-amino-2-hydroxybenzoic acid methyl ester,benzoic acid, 3-amino-2-hydroxy-, methyl ester,methyl 3-aminosalicylate,methyl3-amino-2-hydroxybenzoate,2-amino-6-methoxycarbonyl phenol,2-hydroxy-3-methoxycarbonyl aniline,methyl-m-aminosalicylat,acmc-209wuz,methyl-3-aminosalicylate,aminohydroxy-benzoic methyl ester
IUPAC Name methyl 3-amino-2-hydroxybenzoate
InChI Key OMWQHVRUXLRZRC-UHFFFAOYSA-N
Molecular Formula C8H9NO3
15

Methyl 4-methylsalicylate, 98+%

CAS: 4670-56-8 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00020130 InChI Key: UITFCFWKYAOJEJ-UHFFFAOYSA-N Synonym: methyl 4-methylsalicylate,methyl-4-methylsalicylate,benzoic acid, 2-hydroxy-4-methyl-, methyl ester,4-methylsalicylic acid methyl ester,methyl-4-methyl salicylate,methyl m-cresotate,2-hydroxy-4-methylbenzoic acid methyl ester,methyl 2-hydroxy-4-methyl-benzoate,2-hydroxy-4-methyl-benzoic acid methyl ester,methyl methylsalicylate PubChem CID: 78400 IUPAC Name: methyl 2-hydroxy-4-methylbenzoate SMILES: CC1=CC(=C(C=C1)C(=O)OC)O

PubChem CID 78400
CAS 4670-56-8
Molecular Weight (g/mol) 166.176
MDL Number MFCD00020130
SMILES CC1=CC(=C(C=C1)C(=O)OC)O
Synonym methyl 4-methylsalicylate,methyl-4-methylsalicylate,benzoic acid, 2-hydroxy-4-methyl-, methyl ester,4-methylsalicylic acid methyl ester,methyl-4-methyl salicylate,methyl m-cresotate,2-hydroxy-4-methylbenzoic acid methyl ester,methyl 2-hydroxy-4-methyl-benzoate,2-hydroxy-4-methyl-benzoic acid methyl ester,methyl methylsalicylate
IUPAC Name methyl 2-hydroxy-4-methylbenzoate
InChI Key UITFCFWKYAOJEJ-UHFFFAOYSA-N
Molecular Formula C9H10O3