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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Isopropyl 4-hydroxybenzoate, 98%

CAS: 4191-73-5 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.20 MDL Number: MFCD00016468 InChI Key: CMHMMKSPYOOVGI-UHFFFAOYSA-N Synonym: isopropyl 4-hydroxybenzoate,isopropylparaben,isopropyl p-hydroxybenzoate,isopropyl paraben,p-hydroxybenzoic acid isopropyl ester,isopropylhydroxybenzoate,unii-a6eox47qk0,p-oxybenzoesaureisopropylester,4-hydroxybenzoic acid isopropyl ester,benzoic acid, 4-hydroxy-, 1-methylethyl ester PubChem CID: 20161 IUPAC Name: propan-2-yl 4-hydroxybenzoate SMILES: CC(C)OC(=O)C1=CC=C(O)C=C1

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PubChem CID	20161
CAS	4191-73-5
Molecular Weight (g/mol)	180.20
MDL Number	MFCD00016468
SMILES	CC(C)OC(=O)C1=CC=C(O)C=C1
Synonym	isopropyl 4-hydroxybenzoate,isopropylparaben,isopropyl p-hydroxybenzoate,isopropyl paraben,p-hydroxybenzoic acid isopropyl ester,isopropylhydroxybenzoate,unii-a6eox47qk0,p-oxybenzoesaureisopropylester,4-hydroxybenzoic acid isopropyl ester,benzoic acid, 4-hydroxy-, 1-methylethyl ester
IUPAC Name	propan-2-yl 4-hydroxybenzoate
InChI Key	CMHMMKSPYOOVGI-UHFFFAOYSA-N
Molecular Formula	C10H12O3

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

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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

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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

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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

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Methylparaben, FCC, 99-100.5%, Spectrum™ Chemical

CAS: 61-68-7 Molecular Formula: C15H15NO2 Molecular Weight (g/mol): 241.29 InChI Key: HYYBABOKPJLUIN-UHFFFAOYSA-N IUPAC Name: 2-[(2,3-dimethylphenyl)amino]benzoic acid SMILES: CC1=CC=CC(NC2=CC=CC=C2C(O)=O)=C1C

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CAS	61-68-7
Molecular Weight (g/mol)	241.29
SMILES	CC1=CC=CC(NC2=CC=CC=C2C(O)=O)=C1C
IUPAC Name	2-[(2,3-dimethylphenyl)amino]benzoic acid
InChI Key	HYYBABOKPJLUIN-UHFFFAOYSA-N
Molecular Formula	C15H15NO2

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Propylparaben, NF, BP, EP, 98-102%, Spectrum™ Chemical

CAS: 94-13-3 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.20 InChI Key: QELSKZZBTMNZEB-UHFFFAOYSA-N IUPAC Name: propyl 4-hydroxybenzoate SMILES: CCCOC(=O)C1=CC=C(O)C=C1

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CAS	94-13-3
Molecular Weight (g/mol)	180.20
SMILES	CCCOC(=O)C1=CC=C(O)C=C1
IUPAC Name	propyl 4-hydroxybenzoate
InChI Key	QELSKZZBTMNZEB-UHFFFAOYSA-N
Molecular Formula	C10H12O3

Methyl 3-amino-5-hydroxybenzoate, 97%, Thermo Scientific™

CAS: 67973-80-2 Molecular Formula: C8H9NO3 Molecular Weight (g/mol): 167.164 MDL Number: MFCD09263220 InChI Key: DMNGQQIFOZYIRA-UHFFFAOYSA-N Synonym: 3-amino-5-hydroxy-benzoic acid methyl ester,benzoic acid, 3-amino-5-hydroxy-, methyl ester,pubchem17212,acmc-1bgay,dmngqqifozyira-uhfffaoysa,methyl 3-amino-5-hydroxy-benzoate,3-amino-5-methoxycarbonyl phenol,3-hydroxy-5-methoxycarbonyl aniline,3-amino-5-hydroxybenzoic acid methyl ester,5-amino-3-hydroxybenzoic acid methyl ester PubChem CID: 12438277 IUPAC Name: methyl 3-amino-5-hydroxybenzoate SMILES: COC(=O)C1=CC(=CC(=C1)O)N

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PubChem CID	12438277
CAS	67973-80-2
Molecular Weight (g/mol)	167.164
MDL Number	MFCD09263220
SMILES	COC(=O)C1=CC(=CC(=C1)O)N
Synonym	3-amino-5-hydroxy-benzoic acid methyl ester,benzoic acid, 3-amino-5-hydroxy-, methyl ester,pubchem17212,acmc-1bgay,dmngqqifozyira-uhfffaoysa,methyl 3-amino-5-hydroxy-benzoate,3-amino-5-methoxycarbonyl phenol,3-hydroxy-5-methoxycarbonyl aniline,3-amino-5-hydroxybenzoic acid methyl ester,5-amino-3-hydroxybenzoic acid methyl ester
IUPAC Name	methyl 3-amino-5-hydroxybenzoate
InChI Key	DMNGQQIFOZYIRA-UHFFFAOYSA-N
Molecular Formula	C8H9NO3

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Methyl Salicylate, FCC, 98%, Spectrum™ Chemical

CAS: 119-36-8 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 InChI Key: OSWPMRLSEDHDFF-UHFFFAOYSA-N IUPAC Name: methyl 2-hydroxybenzoate SMILES: COC(=O)C1=CC=CC=C1O

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CAS	119-36-8
Molecular Weight (g/mol)	152.15
SMILES	COC(=O)C1=CC=CC=C1O
IUPAC Name	methyl 2-hydroxybenzoate
InChI Key	OSWPMRLSEDHDFF-UHFFFAOYSA-N
Molecular Formula	C8H8O3

Isobutyl 4-Hydroxybenzoate 99.0+%, TCI America™

CAS: 2-3-4247 Molecular Formula: C11H14O3 Molecular Weight (g/mol): 194.23 MDL Number: MFCD00020167 InChI Key: XPJVKCRENWUEJH-UHFFFAOYSA-N Synonym: isobutyl 4-hydroxybenzoate,isobutylparaben,isobutyl p-hydroxybenzoate,isobutyl paraben,isobutyl-4-hydroxybenzoate,isobutyl parahydroxybenzoate,4-hydroxybenzoic acid isobutyl ester,benzoic acid, 4-hydroxy-, 2-methylpropyl ester,p-oxybenzoesaureisobutylester,unii-0qqj25x58g PubChem CID: 20240 IUPAC Name: 2-methylpropyl 4-hydroxybenzoate SMILES: CC(C)COC(=O)C1=CC=C(C=C1)O

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PubChem CID	20240
CAS	2-3-4247
Molecular Weight (g/mol)	194.23
MDL Number	MFCD00020167
SMILES	CC(C)COC(=O)C1=CC=C(C=C1)O
Synonym	isobutyl 4-hydroxybenzoate,isobutylparaben,isobutyl p-hydroxybenzoate,isobutyl paraben,isobutyl-4-hydroxybenzoate,isobutyl parahydroxybenzoate,4-hydroxybenzoic acid isobutyl ester,benzoic acid, 4-hydroxy-, 2-methylpropyl ester,p-oxybenzoesaureisobutylester,unii-0qqj25x58g
IUPAC Name	2-methylpropyl 4-hydroxybenzoate
InChI Key	XPJVKCRENWUEJH-UHFFFAOYSA-N
Molecular Formula	C11H14O3

Methyl Salicylate 99.0+%, TCI America™

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

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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

Methyl 4-Bromo-3-hydroxybenzoate 98.0+%, TCI America™

CAS: 106291-80-9 Molecular Formula: C8H7BrO3 Molecular Weight (g/mol): 231.05 MDL Number: MFCD08056372 InChI Key: VYOFPLOREOHCDP-UHFFFAOYSA-N Synonym: 4-Bromo-3-hydroxybenzoic Acid Methyl Ester PubChem CID: 6425184 IUPAC Name: methyl 4-bromo-3-hydroxybenzoate SMILES: COC(=O)C1=CC(O)=C(Br)C=C1

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PubChem CID	6425184
CAS	106291-80-9
Molecular Weight (g/mol)	231.05
MDL Number	MFCD08056372
SMILES	COC(=O)C1=CC(O)=C(Br)C=C1
Synonym	4-Bromo-3-hydroxybenzoic Acid Methyl Ester
IUPAC Name	methyl 4-bromo-3-hydroxybenzoate
InChI Key	VYOFPLOREOHCDP-UHFFFAOYSA-N
Molecular Formula	C8H7BrO3

3,3,5-Trimethylcyclohexyl Salicylate (cis- and trans- mixture) 98.0+%, TCI America™

CAS: 118-56-9 Molecular Formula: C16H22O3 Molecular Weight (g/mol): 262.349 InChI Key: WSSJONWNBBTCMG-UHFFFAOYSA-N Synonym: homosalate,coppertone,homomenthyl salicylate,3,3,5-trimethylcyclohexyl salicylate,heliopan,heliophan,filtersol a,m-homomenthyl salicylate,homosalatum,benzoic acid, 2-hydroxy-, 3,3,5-trimethylcyclohexyl ester PubChem CID: 8362 IUPAC Name: (3,3,5-trimethylcyclohexyl) 2-hydroxybenzoate SMILES: CC1CC(CC(C1)(C)C)OC(=O)C2=CC=CC=C2O

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PubChem CID	8362
CAS	118-56-9
Molecular Weight (g/mol)	262.349
SMILES	CC1CC(CC(C1)(C)C)OC(=O)C2=CC=CC=C2O
Synonym	homosalate,coppertone,homomenthyl salicylate,3,3,5-trimethylcyclohexyl salicylate,heliopan,heliophan,filtersol a,m-homomenthyl salicylate,homosalatum,benzoic acid, 2-hydroxy-, 3,3,5-trimethylcyclohexyl ester
IUPAC Name	(3,3,5-trimethylcyclohexyl) 2-hydroxybenzoate
InChI Key	WSSJONWNBBTCMG-UHFFFAOYSA-N
Molecular Formula	C16H22O3

2-Ethylhexyl 4-Hydroxybenzoate 98.0+%, TCI America™

CAS: 5153-25-3 Molecular Formula: C15H22O3 Molecular Weight (g/mol): 250.338 MDL Number: MFCD00016472 InChI Key: VTIMKVIDORQQFA-UHFFFAOYSA-N Synonym: 2-Ethylhexylparaben, 4-Hydroxybenzoic Acid 2-Ethylhexyl Ester, 4-Hydroxybenzoic Acid Octyl Ester, Octyl 4-Hydroxybenzoate, Octylparaben PubChem CID: 107377 ChEBI: CHEBI:34274 IUPAC Name: 2-ethylhexyl 4-hydroxybenzoate SMILES: CCCCC(CC)COC(=O)C1=CC=C(C=C1)O

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PubChem CID	107377
CAS	5153-25-3
Molecular Weight (g/mol)	250.338
ChEBI	CHEBI:34274
MDL Number	MFCD00016472
SMILES	CCCCC(CC)COC(=O)C1=CC=C(C=C1)O
Synonym	2-Ethylhexylparaben, 4-Hydroxybenzoic Acid 2-Ethylhexyl Ester, 4-Hydroxybenzoic Acid Octyl Ester, Octyl 4-Hydroxybenzoate, Octylparaben
IUPAC Name	2-ethylhexyl 4-hydroxybenzoate
InChI Key	VTIMKVIDORQQFA-UHFFFAOYSA-N
Molecular Formula	C15H22O3

Methyl 5-Iodosalicylate 98.0+%, TCI America™

CAS: 4068-75-1 Molecular Formula: C8H7IO3 Molecular Weight (g/mol): 278.045 MDL Number: MFCD00016462 InChI Key: NRSWJTRJHPRZMH-UHFFFAOYSA-N Synonym: methyl 5-iodosalicylate,5-iodosalicylic acid methyl ester,2-hydroxy-5-iodobenzoic acid methyl ester,benzoic acid, 2-hydroxy-5-iodo-, methyl ester,methyl 2-hydroxy-5-iodobenzenecarboxylate,salicylic acid, 5-iodo-, methyl ester,methyl5-iodosalicylate,methyl-5-iodosalicylate,acmc-209jg0,methyl2-hydroxy-5-iodobenzoate PubChem CID: 248910 IUPAC Name: methyl 2-hydroxy-5-iodobenzoate SMILES: COC(=O)C1=C(C=CC(=C1)I)O

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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
Synonym	methyl 5-iodosalicylate,5-iodosalicylic acid methyl ester,2-hydroxy-5-iodobenzoic acid methyl ester,benzoic acid, 2-hydroxy-5-iodo-, methyl ester,methyl 2-hydroxy-5-iodobenzenecarboxylate,salicylic acid, 5-iodo-, methyl ester,methyl5-iodosalicylate,methyl-5-iodosalicylate,acmc-209jg0,methyl2-hydroxy-5-iodobenzoate
IUPAC Name	methyl 2-hydroxy-5-iodobenzoate
InChI Key	NRSWJTRJHPRZMH-UHFFFAOYSA-N
Molecular Formula	C8H7IO3

Allyl 4-Hydroxybenzoate 98.0+%, TCI America™

CAS: 18982-18-8 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.19 MDL Number: MFCD08276268 InChI Key: NVNSVQJVBIWZNM-UHFFFAOYSA-N Synonym: Allylparaben, 4-Hydroxybenzoic Acid Allyl Ester PubChem CID: 11171300 IUPAC Name: prop-2-en-1-yl 4-hydroxybenzoate SMILES: OC1=CC=C(C=C1)C(=O)OCC=C

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PubChem CID	11171300
CAS	18982-18-8
Molecular Weight (g/mol)	178.19
MDL Number	MFCD08276268
SMILES	OC1=CC=C(C=C1)C(=O)OCC=C
Synonym	Allylparaben, 4-Hydroxybenzoic Acid Allyl Ester
IUPAC Name	prop-2-en-1-yl 4-hydroxybenzoate
InChI Key	NVNSVQJVBIWZNM-UHFFFAOYSA-N
Molecular Formula	C10H10O3

Methyl 3-Hydroxybenzoate 98.0+%, TCI America™

CAS: 19438-10-9 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00002295 InChI Key: YKUCHDXIBAQWSF-UHFFFAOYSA-N Synonym: methyl m-hydroxybenzoate,3-hydroxybenzoic acid methyl ester,m-carbomethoxyphenol,methyl m-oxybenzoate,m-hydroxybenzoic acid methyl ester,benzoic acid, 3-hydroxy-, methyl ester,3-hydroxy-benzoic acid methyl ester,unii-569m9g3stj,3-methoxycarbonyl phenol,benzoic acid, m-hydroxy-, methyl ester PubChem CID: 88068 IUPAC Name: methyl 3-hydroxybenzoate SMILES: COC(=O)C1=CC=CC(O)=C1

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PubChem CID	88068
CAS	19438-10-9
Molecular Weight (g/mol)	152.15
MDL Number	MFCD00002295
SMILES	COC(=O)C1=CC=CC(O)=C1
Synonym	methyl m-hydroxybenzoate,3-hydroxybenzoic acid methyl ester,m-carbomethoxyphenol,methyl m-oxybenzoate,m-hydroxybenzoic acid methyl ester,benzoic acid, 3-hydroxy-, methyl ester,3-hydroxy-benzoic acid methyl ester,unii-569m9g3stj,3-methoxycarbonyl phenol,benzoic acid, m-hydroxy-, methyl ester
IUPAC Name	methyl 3-hydroxybenzoate
InChI Key	YKUCHDXIBAQWSF-UHFFFAOYSA-N
Molecular Formula	C8H8O3

Benzoic acid esters

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