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Phenol esters

Organic compounds that consist of a phenyl ring with an ester functional group substitution; ester functional groups contain an oxygen atom bonded to a carbonyl group subsequently bonded to a methyl group.

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1

4-Nitrophenyl palmitate, 98+%

CAS: 1492-30-4 Molecular Formula: C22H35NO4 Molecular Weight (g/mol): 377.525 MDL Number: MFCD00047732 InChI Key: LVZSQWIWCANHPF-UHFFFAOYSA-N Synonym: 4-nitrophenyl palmitate,p-nitrophenyl palmitate,hexadecanoic acid 4-nitrophenyl ester,4-nitrophenyl hexadecanoate,hexadecanoic acid, 4-nitrophenyl ester,4-nitrophenylpalmitate,paranitrophenyl palmitate,para-nitrophenyl palmitate,p-nitrophenyl hexadecanoate,4-nitrophenyl palmitate # PubChem CID: 73891 ChEBI: CHEBI:85645 IUPAC Name: (4-nitrophenyl) hexadecanoate SMILES: CCCCCCCCCCCCCCCC(=O)OC1=CC=C(C=C1)[N+](=O)[O-]

EDGE
PubChem CID 73891
CAS 1492-30-4
Molecular Weight (g/mol) 377.525
ChEBI CHEBI:85645
MDL Number MFCD00047732
SMILES CCCCCCCCCCCCCCCC(=O)OC1=CC=C(C=C1)[N+](=O)[O-]
Synonym 4-nitrophenyl palmitate,p-nitrophenyl palmitate,hexadecanoic acid 4-nitrophenyl ester,4-nitrophenyl hexadecanoate,hexadecanoic acid, 4-nitrophenyl ester,4-nitrophenylpalmitate,paranitrophenyl palmitate,para-nitrophenyl palmitate,p-nitrophenyl hexadecanoate,4-nitrophenyl palmitate #
IUPAC Name (4-nitrophenyl) hexadecanoate
InChI Key LVZSQWIWCANHPF-UHFFFAOYSA-N
Molecular Formula C22H35NO4
2

4-Nitrophenyl acetate, 97%

CAS: 830-03-5 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.15 MDL Number: MFCD00007326 InChI Key: QAUUDNIGJSLPSX-UHFFFAOYSA-N Synonym: p-nitrophenyl acetate,p-acetoxynitrobenzene,acetic acid, 4-nitrophenyl ester,p-nitrophenol acetate,acetic acid p-nitrophenyl ester,acetic acid, p-nitrophenyl ester,p-nitrophenyl acetate van,4-nitrophenyl acetate,unii-i902j0qh9s,acetic acid 4-nitrophenyl ester PubChem CID: 13243 ChEBI: CHEBI:82635 IUPAC Name: (4-nitrophenyl) acetate SMILES: CC(=O)OC1=CC=C(C=C1)[N+]([O-])=O

PubChem CID 13243
CAS 830-03-5
Molecular Weight (g/mol) 181.15
ChEBI CHEBI:82635
MDL Number MFCD00007326
SMILES CC(=O)OC1=CC=C(C=C1)[N+]([O-])=O
Synonym p-nitrophenyl acetate,p-acetoxynitrobenzene,acetic acid, 4-nitrophenyl ester,p-nitrophenol acetate,acetic acid p-nitrophenyl ester,acetic acid, p-nitrophenyl ester,p-nitrophenyl acetate van,4-nitrophenyl acetate,unii-i902j0qh9s,acetic acid 4-nitrophenyl ester
IUPAC Name (4-nitrophenyl) acetate
InChI Key QAUUDNIGJSLPSX-UHFFFAOYSA-N
Molecular Formula C8H7NO4
3

4-Nitrophenyl acetate, 97%

CAS: 830-03-5 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.15 MDL Number: MFCD00007326 InChI Key: QAUUDNIGJSLPSX-UHFFFAOYSA-N Synonym: p-nitrophenyl acetate,p-acetoxynitrobenzene,acetic acid, 4-nitrophenyl ester,p-nitrophenol acetate,acetic acid p-nitrophenyl ester,acetic acid, p-nitrophenyl ester,p-nitrophenyl acetate van,4-nitrophenyl acetate,unii-i902j0qh9s,acetic acid 4-nitrophenyl ester PubChem CID: 13243 ChEBI: CHEBI:82635 SMILES: CC(=O)OC1=CC=C(C=C1)[N+]([O-])=O

PubChem CID 13243
CAS 830-03-5
Molecular Weight (g/mol) 181.15
ChEBI CHEBI:82635
MDL Number MFCD00007326
SMILES CC(=O)OC1=CC=C(C=C1)[N+]([O-])=O
Synonym p-nitrophenyl acetate,p-acetoxynitrobenzene,acetic acid, 4-nitrophenyl ester,p-nitrophenol acetate,acetic acid p-nitrophenyl ester,acetic acid, p-nitrophenyl ester,p-nitrophenyl acetate van,4-nitrophenyl acetate,unii-i902j0qh9s,acetic acid 4-nitrophenyl ester
InChI Key QAUUDNIGJSLPSX-UHFFFAOYSA-N
Molecular Formula C8H7NO4
4

1-Acetoxy-2-methoxybenzene, 98%

CAS: 15212-03-0 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00017221 InChI Key: BHJHPYFAYGAPLS-UHFFFAOYSA-N Synonym: guaiacol acetate,1-acetoxy-2-methoxybenzene,guaiacyl acetate,o-acetoxyanisole,o-methoxyphenyl acetate,o-anisyl acetate,acetyl guaiacol,phenol, 2-methoxy-, acetate,o-acetylguaiacol,eucol PubChem CID: 61155 ChEBI: CHEBI:86645 IUPAC Name: (2-methoxyphenyl) acetate SMILES: CC(=O)OC1=CC=CC=C1OC

PubChem CID 61155
CAS 15212-03-0
Molecular Weight (g/mol) 166.176
ChEBI CHEBI:86645
MDL Number MFCD00017221
SMILES CC(=O)OC1=CC=CC=C1OC
Synonym guaiacol acetate,1-acetoxy-2-methoxybenzene,guaiacyl acetate,o-acetoxyanisole,o-methoxyphenyl acetate,o-anisyl acetate,acetyl guaiacol,phenol, 2-methoxy-, acetate,o-acetylguaiacol,eucol
IUPAC Name (2-methoxyphenyl) acetate
InChI Key BHJHPYFAYGAPLS-UHFFFAOYSA-N
Molecular Formula C9H10O3
5

m-Tolyl acetate, 97%

CAS: 122-46-3 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.18 MDL Number: MFCD00041910 InChI Key: OTGAHJPFNKQGAE-UHFFFAOYSA-N Synonym: m-tolyl acetate,m-cresyl acetate,cresatin,m-acetoxytoluene,m-cresol acetate,acetic acid m-tolyl ester,cresatin-sulzberger,kresatin,acetic acid, 3-methylphenyl ester,m-methylphenyl acetate PubChem CID: 67406 IUPAC Name: (3-methylphenyl) acetate SMILES: CC(=O)OC1=CC=CC(C)=C1

PubChem CID 67406
CAS 122-46-3
Molecular Weight (g/mol) 150.18
MDL Number MFCD00041910
SMILES CC(=O)OC1=CC=CC(C)=C1
Synonym m-tolyl acetate,m-cresyl acetate,cresatin,m-acetoxytoluene,m-cresol acetate,acetic acid m-tolyl ester,cresatin-sulzberger,kresatin,acetic acid, 3-methylphenyl ester,m-methylphenyl acetate
IUPAC Name (3-methylphenyl) acetate
InChI Key OTGAHJPFNKQGAE-UHFFFAOYSA-N
Molecular Formula C9H10O2
6

Acetaminophen Acetate (Acetaminophen Impurity), TRC

CAS: 2623-33-8 Molecular Formula: C10 H11 N O3 Molecular Weight (g/mol): 193.2 Synonym: 4-(Acetylamino)phenyl acetate,Paracetamol Imp. H (EP),N,O-Diacetyl-4-aminophenol,Acetamide, N-[4-(acetyloxy)phenyl]-,Acetanilide, 4'-hydroxy-, acetate (6CI,7CI),Acetanilide, 4'-hydroxy-, acetate (ester) (8CI),N-[4-(Acetyloxy)phenyl]acetamide,4-Acetamidophenyl acetate,4-Acetylaminophenyl acetate,4'-Acetoxyacetanilide,Acetaminophen acetate,Diacetamate,N-(4-Acetoxyphenyl)acetamide,N-Acetyl-4-aminophenyl acetate,NSC 33893,NSC 6083,O-Acetylparacetamol,p-Acetamidophenyl acetate,p-Acetoxyacetanilide IUPAC Name: (4-acetamidophenyl) acetate SMILES: CC(=O)Nc1ccc(OC(=O)C)cc1

CAS 2623-33-8
Molecular Weight (g/mol) 193.2
SMILES CC(=O)Nc1ccc(OC(=O)C)cc1
Synonym 4-(Acetylamino)phenyl acetate,Paracetamol Imp. H (EP),N,O-Diacetyl-4-aminophenol,Acetamide, N-[4-(acetyloxy)phenyl]-,Acetanilide, 4'-hydroxy-, acetate (6CI,7CI),Acetanilide, 4'-hydroxy-, acetate (ester) (8CI),N-[4-(Acetyloxy)phenyl]acetamide,4-Acetamidophenyl acetate,4-Acetylaminophenyl acetate,4'-Acetoxyacetanilide,Acetaminophen acetate,Diacetamate,N-(4-Acetoxyphenyl)acetamide,N-Acetyl-4-aminophenyl acetate,NSC 33893,NSC 6083,O-Acetylparacetamol,p-Acetamidophenyl acetate,p-Acetoxyacetanilide
IUPAC Name (4-acetamidophenyl) acetate
Molecular Formula C10 H11 N O3
7

Phenyl acetate, 97%

CAS: 122-79-2 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00008699 InChI Key: IPBVNPXQWQGGJP-UHFFFAOYSA-N Synonym: acetic acid phenyl ester,phenol acetate,acetylphenol,acetic acid, phenyl ester,acetyl phenol,acetoxybenzene,acetates,acetic acid,phenyl ester,fenylester kyseliny octove,fenylester kyseliny octove czech PubChem CID: 31229 ChEBI: CHEBI:8082 IUPAC Name: phenyl acetate SMILES: CC(=O)OC1=CC=CC=C1

PubChem CID 31229
CAS 122-79-2
Molecular Weight (g/mol) 136.15
ChEBI CHEBI:8082
MDL Number MFCD00008699
SMILES CC(=O)OC1=CC=CC=C1
Synonym acetic acid phenyl ester,phenol acetate,acetylphenol,acetic acid, phenyl ester,acetyl phenol,acetoxybenzene,acetates,acetic acid,phenyl ester,fenylester kyseliny octove,fenylester kyseliny octove czech
IUPAC Name phenyl acetate
InChI Key IPBVNPXQWQGGJP-UHFFFAOYSA-N
Molecular Formula C8H8O2
8

Phenyl bromoacetate, 98%

CAS: 620-72-4 Molecular Formula: C8H7BrO2 Molecular Weight (g/mol): 215.046 MDL Number: MFCD00192391 InChI Key: UEWYUCGVQMZMGY-UHFFFAOYSA-N Synonym: phenyl bromoacetate,acetic acid, bromo-, phenyl ester,bromoacetic acid phenyl ester,bromoacetic acid, phenyl ester,phenylbromessigester,phenyl bromoacetate #,acmc-209mzb,phenyl 2-bromanylethanoate,ksc352o8b PubChem CID: 564919 IUPAC Name: phenyl 2-bromoacetate SMILES: C1=CC=C(C=C1)OC(=O)CBr

PubChem CID 564919
CAS 620-72-4
Molecular Weight (g/mol) 215.046
MDL Number MFCD00192391
SMILES C1=CC=C(C=C1)OC(=O)CBr
Synonym phenyl bromoacetate,acetic acid, bromo-, phenyl ester,bromoacetic acid phenyl ester,bromoacetic acid, phenyl ester,phenylbromessigester,phenyl bromoacetate #,acmc-209mzb,phenyl 2-bromanylethanoate,ksc352o8b
IUPAC Name phenyl 2-bromoacetate
InChI Key UEWYUCGVQMZMGY-UHFFFAOYSA-N
Molecular Formula C8H7BrO2
9

Furamide, TRC

CAS: 3736-81-0 Molecular Formula: C14 H11 Cl2 N O4 Molecular Weight (g/mol): 328.15 Synonym: 2-Furancarboxylic acid, 4-[(dichloroacetyl)methylamino]phenyl ester,2-Furoic acid, ester with 2,2-dichloro-4'-hydroxy-N-methylacetanilide,Furoic acid, ester with 2,2-dichloro-4'-hydroxy-N-methylacetanilide,Acetanilide, 2,2-dichloro-4'-hydroxy-N-methyl-, 2-furoate (ester),4-Hydroxy-N-methyl dichloroacetanilide 2-furoate,8073 CB,Amebiazol,Dichlofurazol,Diclofurazol,Diloxanid furoate,Diloxanide furoate,Entamide 2-furoate,Entamide furoate,Furamide,Furamide (amebicide),Furentomin,Histomibal,Miforon IUPAC Name: [4-[(2,2-dichloroacetyl)-methylamino]phenyl] furan-2-carboxylate SMILES: CN(C(=O)C(Cl)Cl)c1ccc(OC(=O)c2occc2)cc1

CAS 3736-81-0
Molecular Weight (g/mol) 328.15
SMILES CN(C(=O)C(Cl)Cl)c1ccc(OC(=O)c2occc2)cc1
Synonym 2-Furancarboxylic acid, 4-[(dichloroacetyl)methylamino]phenyl ester,2-Furoic acid, ester with 2,2-dichloro-4'-hydroxy-N-methylacetanilide,Furoic acid, ester with 2,2-dichloro-4'-hydroxy-N-methylacetanilide,Acetanilide, 2,2-dichloro-4'-hydroxy-N-methyl-, 2-furoate (ester),4-Hydroxy-N-methyl dichloroacetanilide 2-furoate,8073 CB,Amebiazol,Dichlofurazol,Diclofurazol,Diloxanid furoate,Diloxanide furoate,Entamide 2-furoate,Entamide furoate,Furamide,Furamide (amebicide),Furentomin,Histomibal,Miforon
IUPAC Name [4-[(2,2-dichloroacetyl)-methylamino]phenyl] furan-2-carboxylate
Molecular Formula C14 H11 Cl2 N O4
10

4-Acetoxybenzeneboronic acid, 97%, Thermo Scientific Chemicals

CAS: 177490-82-3 Molecular Formula: C8H9BO4 Molecular Weight (g/mol): 179.97 MDL Number: MFCD09027198 InChI Key: VILXJXDXZGKJLU-UHFFFAOYSA-N Synonym: 4-acetoxyphenyl boronic acid,4-acetoxyphenylboronic acid,4-acetoxybenzeneboronic acid,4-acetyloxy phenylboronic acid,boronic acid, 4-acetyloxy phenyl,boronic acid,b-4-acetyloxy phenyl,4-boronophenyl acetate,pubchem20170,acmc-209ecy,4-acetoxyphenyl boronicacid PubChem CID: 44119577 IUPAC Name: (4-acetyloxyphenyl)boronic acid SMILES: CC(=O)OC1=CC=C(C=C1)B(O)O

PubChem CID 44119577
CAS 177490-82-3
Molecular Weight (g/mol) 179.97
MDL Number MFCD09027198
SMILES CC(=O)OC1=CC=C(C=C1)B(O)O
Synonym 4-acetoxyphenyl boronic acid,4-acetoxyphenylboronic acid,4-acetoxybenzeneboronic acid,4-acetyloxy phenylboronic acid,boronic acid, 4-acetyloxy phenyl,boronic acid,b-4-acetyloxy phenyl,4-boronophenyl acetate,pubchem20170,acmc-209ecy,4-acetoxyphenyl boronicacid
IUPAC Name (4-acetyloxyphenyl)boronic acid
InChI Key VILXJXDXZGKJLU-UHFFFAOYSA-N
Molecular Formula C8H9BO4
11

4-Acetoxy-3-methoxybenzaldehyde, 98%

CAS: 881-68-5 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.186 MDL Number: MFCD00003362 InChI Key: PZSJOBKRSVRODF-UHFFFAOYSA-N Synonym: vanillin acetate,4-acetoxy-3-methoxybenzaldehyde,acetovanillin,acetylvanillin,vanillin, acetate,4-o-acetylvanillin,o-acetylvanillin,benzaldehyde, 4-acetyloxy-3-methoxy,3-methoxy-4-acetoxybenzaldehyde,acetyl vanillin PubChem CID: 61229 ChEBI: CHEBI:86956 IUPAC Name: (4-formyl-2-methoxyphenyl) acetate SMILES: CC(=O)OC1=C(C=C(C=C1)C=O)OC

PubChem CID 61229
CAS 881-68-5
Molecular Weight (g/mol) 194.186
ChEBI CHEBI:86956
MDL Number MFCD00003362
SMILES CC(=O)OC1=C(C=C(C=C1)C=O)OC
Synonym vanillin acetate,4-acetoxy-3-methoxybenzaldehyde,acetovanillin,acetylvanillin,vanillin, acetate,4-o-acetylvanillin,o-acetylvanillin,benzaldehyde, 4-acetyloxy-3-methoxy,3-methoxy-4-acetoxybenzaldehyde,acetyl vanillin
IUPAC Name (4-formyl-2-methoxyphenyl) acetate
InChI Key PZSJOBKRSVRODF-UHFFFAOYSA-N
Molecular Formula C10H10O4
12

1,3-Diacetoxybenzene, 97%

CAS: 108-58-7 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.186 MDL Number: MFCD00008701 InChI Key: STOUHHBZBQBYHH-UHFFFAOYSA-N Synonym: 1,3-diacetoxybenzene,resorcinol diacetate,1,3-benzenediol, diacetate,m-phenylenediacetate,resorcinol, diacetate,m-phenylene di acetate,1,3-dihydroxybenzene diacetate,dihydroxybenzene diacetate,1,3-phenylene diacetate,1,3-benzenediol, 1,3-diacetate PubChem CID: 7942 IUPAC Name: (3-acetyloxyphenyl) acetate SMILES: CC(=O)OC1=CC(=CC=C1)OC(=O)C

PubChem CID 7942
CAS 108-58-7
Molecular Weight (g/mol) 194.186
MDL Number MFCD00008701
SMILES CC(=O)OC1=CC(=CC=C1)OC(=O)C
Synonym 1,3-diacetoxybenzene,resorcinol diacetate,1,3-benzenediol, diacetate,m-phenylenediacetate,resorcinol, diacetate,m-phenylene di acetate,1,3-dihydroxybenzene diacetate,dihydroxybenzene diacetate,1,3-phenylene diacetate,1,3-benzenediol, 1,3-diacetate
IUPAC Name (3-acetyloxyphenyl) acetate
InChI Key STOUHHBZBQBYHH-UHFFFAOYSA-N
Molecular Formula C10H10O4
13

4-Acetoxybenzoic acid, 98+%

CAS: 2345-34-8 Molecular Formula: C9H8O4 Molecular Weight (g/mol): 180.16 MDL Number: MFCD00002540 InChI Key: GDBUZIKSJGRBJP-UHFFFAOYSA-N Synonym: 4-acetoxybenzoic acid,p-acetoxybenzoic acid,4-acetyloxy benzoic acid,4-carboxyphenyl acetate,benzoic acid, 4-acetyloxy,p-hydroxybenzoic acid acetate,p-acetyloxybenzoic acid,p-carboxyphenyl acetate,benzoic acid, p-hydroxy-, acetate,4-acetoxy benzoic acid PubChem CID: 16865 ChEBI: CHEBI:86560 IUPAC Name: 4-acetyloxybenzoic acid SMILES: CC(=O)OC1=CC=C(C=C1)C(O)=O

PubChem CID 16865
CAS 2345-34-8
Molecular Weight (g/mol) 180.16
ChEBI CHEBI:86560
MDL Number MFCD00002540
SMILES CC(=O)OC1=CC=C(C=C1)C(O)=O
Synonym 4-acetoxybenzoic acid,p-acetoxybenzoic acid,4-acetyloxy benzoic acid,4-carboxyphenyl acetate,benzoic acid, 4-acetyloxy,p-hydroxybenzoic acid acetate,p-acetyloxybenzoic acid,p-carboxyphenyl acetate,benzoic acid, p-hydroxy-, acetate,4-acetoxy benzoic acid
IUPAC Name 4-acetyloxybenzoic acid
InChI Key GDBUZIKSJGRBJP-UHFFFAOYSA-N
Molecular Formula C9H8O4
14

Phenyl acrylate, 97%

CAS: 937-41-7 Molecular Formula: C9H8O2 Molecular Weight (g/mol): 148.161 MDL Number: MFCD00048145 InChI Key: WRAQQYDMVSCOTE-UHFFFAOYSA-N Synonym: phenyl acrylate,phenylacrylate,2-propenoic acid, phenyl ester,phenol acrylate,phenyl-acrylate,acrylic acid phenyl ester,phenyl acrylate 5g,2-propenoic acid,phenyl ester,acrylic acid phenyl ester, stabilized with bht PubChem CID: 61242 IUPAC Name: phenyl prop-2-enoate SMILES: C=CC(=O)OC1=CC=CC=C1

PubChem CID 61242
CAS 937-41-7
Molecular Weight (g/mol) 148.161
MDL Number MFCD00048145
SMILES C=CC(=O)OC1=CC=CC=C1
Synonym phenyl acrylate,phenylacrylate,2-propenoic acid, phenyl ester,phenol acrylate,phenyl-acrylate,acrylic acid phenyl ester,phenyl acrylate 5g,2-propenoic acid,phenyl ester,acrylic acid phenyl ester, stabilized with bht
IUPAC Name phenyl prop-2-enoate
InChI Key WRAQQYDMVSCOTE-UHFFFAOYSA-N
Molecular Formula C9H8O2
15

Phenyl acetate, 97%

CAS: 122-79-2 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00008699 InChI Key: IPBVNPXQWQGGJP-UHFFFAOYSA-N Synonym: acetic acid phenyl ester,phenol acetate,acetylphenol,acetic acid, phenyl ester,acetyl phenol,acetoxybenzene,acetates,acetic acid,phenyl ester,fenylester kyseliny octove,fenylester kyseliny octove czech PubChem CID: 31229 ChEBI: CHEBI:8082 IUPAC Name: phenyl acetate SMILES: CC(=O)OC1=CC=CC=C1

PubChem CID 31229
CAS 122-79-2
Molecular Weight (g/mol) 136.15
ChEBI CHEBI:8082
MDL Number MFCD00008699
SMILES CC(=O)OC1=CC=CC=C1
Synonym acetic acid phenyl ester,phenol acetate,acetylphenol,acetic acid, phenyl ester,acetyl phenol,acetoxybenzene,acetates,acetic acid,phenyl ester,fenylester kyseliny octove,fenylester kyseliny octove czech
IUPAC Name phenyl acetate
InChI Key IPBVNPXQWQGGJP-UHFFFAOYSA-N
Molecular Formula C8H8O2