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1-hydroxy-4-unsubstituted benzenoids

Aromatic organic compounds that contain a hydroxyl functional group (R-OH, where each R is a benzene ring) with no substituents in the fourth carbon, or the fourth position, in the benzene ring.
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1

TraceCERT™ Guaiacol, 2000 μg/mL, Certified Reference Material, MilliporeSigma™ Supelco™

This certified reference material (CRM) is produced and certified in accordance with ISO/IEC 17025 and ISO 17034. This CRM is traceable to the SI through a primary reference material from a NMI. Certified content incl. uncertainty and expiry date are stated on the enclosed certificate.

2

Calix[4]arene, 98%

CAS: 74568-07-3 Molecular Formula: C28H24O4 Molecular Weight (g/mol): 424.496 MDL Number: MFCD00143912 InChI Key: YPNHVQZZPXPQOS-UHFFFAOYSA-N Synonym: calix 4 arene,tetrahydroxycalix 4 arene,calix 4 arene 1g,calix 4 arene-25,26,27,28-tetrol,25,26,27,28-tetrahydroxycalix 4 aren,25,26,27,28-tetrahydroxycalix 4 arene,calix 4 arene-25,26,27,28-tetrol, purum hplc PubChem CID: 562409 SMILES: C1C2=C(C(=CC=C2)CC3=C(C(=CC=C3)CC4=CC=CC(=C4O)CC5=CC=CC1=C5O)O)O

PubChem CID 562409
CAS 74568-07-3
Molecular Weight (g/mol) 424.496
MDL Number MFCD00143912
SMILES C1C2=C(C(=CC=C2)CC3=C(C(=CC=C3)CC4=CC=CC(=C4O)CC5=CC=CC1=C5O)O)O
Synonym calix 4 arene,tetrahydroxycalix 4 arene,calix 4 arene 1g,calix 4 arene-25,26,27,28-tetrol,25,26,27,28-tetrahydroxycalix 4 aren,25,26,27,28-tetrahydroxycalix 4 arene,calix 4 arene-25,26,27,28-tetrol, purum hplc
InChI Key YPNHVQZZPXPQOS-UHFFFAOYSA-N
Molecular Formula C28H24O4
3

Calix[6]arene, 98%

CAS: 96107-95-8 Molecular Formula: C42H36O6 Molecular Weight (g/mol): 636.744 MDL Number: MFCD00143083 InChI Key: JLSWUKWFQCVKCL-UHFFFAOYSA-N Synonym: calix 6 arene,hexahydroxycalix 6 arene PubChem CID: 2724885 SMILES: C1C2=C(C(=CC=C2)CC3=C(C(=CC=C3)CC4=C(C(=CC=C4)CC5=CC=CC(=C5O)CC6=CC=CC(=C6O)CC7=CC=CC1=C7O)O)O)O

PubChem CID 2724885
CAS 96107-95-8
Molecular Weight (g/mol) 636.744
MDL Number MFCD00143083
SMILES C1C2=C(C(=CC=C2)CC3=C(C(=CC=C3)CC4=C(C(=CC=C4)CC5=CC=CC(=C5O)CC6=CC=CC(=C6O)CC7=CC=CC1=C7O)O)O)O
Synonym calix 6 arene,hexahydroxycalix 6 arene
InChI Key JLSWUKWFQCVKCL-UHFFFAOYSA-N
Molecular Formula C42H36O6
4

3-(Trifluoromethoxy)phenol, 98%, Thermo Scientific™

CAS: 827-99-6 Molecular Formula: C7H5F3O2 Molecular Weight (g/mol): 178.11 MDL Number: MFCD00040987 InChI Key: UWLJERQTLRORJN-UHFFFAOYSA-N Synonym: 3-trifluoromethoxy phenol,m-trifluoromethoxy phenol,phenol, 3-trifluoromethoxy,3-trifluoromethoxy-phenol,3-hydroxyphenyl trifluoromethyl ether,pubchem1505,m-trifluoromethoxyphenol,pubchem10391 PubChem CID: 2733261 IUPAC Name: 3-(trifluoromethoxy)phenol SMILES: OC1=CC=CC(OC(F)(F)F)=C1

PubChem CID 2733261
CAS 827-99-6
Molecular Weight (g/mol) 178.11
MDL Number MFCD00040987
SMILES OC1=CC=CC(OC(F)(F)F)=C1
Synonym 3-trifluoromethoxy phenol,m-trifluoromethoxy phenol,phenol, 3-trifluoromethoxy,3-trifluoromethoxy-phenol,3-hydroxyphenyl trifluoromethyl ether,pubchem1505,m-trifluoromethoxyphenol,pubchem10391
IUPAC Name 3-(trifluoromethoxy)phenol
InChI Key UWLJERQTLRORJN-UHFFFAOYSA-N
Molecular Formula C7H5F3O2
5

Calix[8]arene, 97%

CAS: 82452-93-5 Molecular Formula: C56H48O8 Molecular Weight (g/mol): 848.992 MDL Number: MFCD00143914 InChI Key: HDPRHRZFFPXZIL-UHFFFAOYSA-N Synonym: calix 8 arene,calix 8 arene;,p-h-calix 8 arene,octahydroxycalix 8 arene,para-h-calix 8 arene;,calix 8 arene, technical ch,49,50,51,52,53,54,55,56-octahydroxycalix 8 arene,49,50,51,52,53,54,55,56-octahydroxycalix 8 arene;,49,50,51,52,53,54,55,56-octahydroxycalix 8-arene;,49,50,51,52,53,54,55,56-octakis hydroxy calix 8 arene; PubChem CID: 2724886 SMILES: C1C2=C(C(=CC=C2)CC3=C(C(=CC=C3)CC4=C(C(=CC=C4)CC5=C(C(=CC=C5)CC6=CC=CC(=C6O)CC7=CC=CC(=C7O)CC8=CC=CC(=C8O)CC9=CC=CC1=C9O)O)O)O)O

PubChem CID 2724886
CAS 82452-93-5
Molecular Weight (g/mol) 848.992
MDL Number MFCD00143914
SMILES C1C2=C(C(=CC=C2)CC3=C(C(=CC=C3)CC4=C(C(=CC=C4)CC5=C(C(=CC=C5)CC6=CC=CC(=C6O)CC7=CC=CC(=C7O)CC8=CC=CC(=C8O)CC9=CC=CC1=C9O)O)O)O)O
Synonym calix 8 arene,calix 8 arene;,p-h-calix 8 arene,octahydroxycalix 8 arene,para-h-calix 8 arene;,calix 8 arene, technical ch,49,50,51,52,53,54,55,56-octahydroxycalix 8 arene,49,50,51,52,53,54,55,56-octahydroxycalix 8 arene;,49,50,51,52,53,54,55,56-octahydroxycalix 8-arene;,49,50,51,52,53,54,55,56-octakis hydroxy calix 8 arene;
InChI Key HDPRHRZFFPXZIL-UHFFFAOYSA-N
Molecular Formula C56H48O8
6

Calix[4]arene, 98%

CAS: 74568-07-3 Molecular Formula: C28H24O4 Molecular Weight (g/mol): 424.5 MDL Number: MFCD00233673 InChI Key: YPNHVQZZPXPQOS-UHFFFAOYSA-N Synonym: calix 4 arene,tetrahydroxycalix 4 arene,calix 4 arene 1g,calix 4 arene-25,26,27,28-tetrol,25,26,27,28-tetrahydroxycalix 4 aren,25,26,27,28-tetrahydroxycalix 4 arene,calix 4 arene-25,26,27,28-tetrol, purum hplc PubChem CID: 562409 SMILES: C1C2=C(C(=CC=C2)CC3=C(C(=CC=C3)CC4=CC=CC(=C4O)CC5=CC=CC1=C5O)O)O

PubChem CID 562409
CAS 74568-07-3
Molecular Weight (g/mol) 424.5
MDL Number MFCD00233673
SMILES C1C2=C(C(=CC=C2)CC3=C(C(=CC=C3)CC4=CC=CC(=C4O)CC5=CC=CC1=C5O)O)O
Synonym calix 4 arene,tetrahydroxycalix 4 arene,calix 4 arene 1g,calix 4 arene-25,26,27,28-tetrol,25,26,27,28-tetrahydroxycalix 4 aren,25,26,27,28-tetrahydroxycalix 4 arene,calix 4 arene-25,26,27,28-tetrol, purum hplc
InChI Key YPNHVQZZPXPQOS-UHFFFAOYSA-N
Molecular Formula C28H24O4
7

2,6-Dimethoxyphenol, 99%

CAS: 91-10-1 Molecular Formula: C8H10O3 Molecular Weight (g/mol): 154.17 MDL Number: MFCD00064434 InChI Key: KLIDCXVFHGNTTM-UHFFFAOYSA-N Synonym: syringol,pyrogallol 1,3-dimethyl ether,1,3-dimethyl pyrogallate,phenol, 2,6-dimethoxy,2-hydroxy-1,3-dimethoxybenzene,1,3-di-o-methylpyrogallol,1,3-dimethoxy-2-hydroxybenzene,2,6-dimethoxy-phenol,pyrogallol dimethylether,2,6-dwumetoksyfenol PubChem CID: 7041 ChEBI: CHEBI:955 IUPAC Name: 2,6-dimethoxyphenol SMILES: COC1=CC=CC(OC)=C1O

PubChem CID 7041
CAS 91-10-1
Molecular Weight (g/mol) 154.17
ChEBI CHEBI:955
MDL Number MFCD00064434
SMILES COC1=CC=CC(OC)=C1O
Synonym syringol,pyrogallol 1,3-dimethyl ether,1,3-dimethyl pyrogallate,phenol, 2,6-dimethoxy,2-hydroxy-1,3-dimethoxybenzene,1,3-di-o-methylpyrogallol,1,3-dimethoxy-2-hydroxybenzene,2,6-dimethoxy-phenol,pyrogallol dimethylether,2,6-dwumetoksyfenol
IUPAC Name 2,6-dimethoxyphenol
InChI Key KLIDCXVFHGNTTM-UHFFFAOYSA-N
Molecular Formula C8H10O3
8

3-Hydroxyphenylboronic acid, 97%

CAS: 87199-18-6 Molecular Formula: C6H7BO3 Molecular Weight (g/mol): 137.93 MDL Number: MFCD01074603 InChI Key: WFWQWTPAPNEOFE-UHFFFAOYSA-N Synonym: 3-hydroxyphenyl boronic acid,3-hydroxybenzeneboronic acid,3-hydroxyphenylboronicacid,3-hydroxyphenyl boranediol,m-hydroxyphenylboronic acid,boronic acid, 3-hydroxyphenyl,pubchem1728,3-boronophenol,acmc-209qip,3-hydroxyphenyboronic acid PubChem CID: 2734359 IUPAC Name: (3-hydroxyphenyl)boronic acid SMILES: OB(O)C1=CC=CC(O)=C1

PubChem CID 2734359
CAS 87199-18-6
Molecular Weight (g/mol) 137.93
MDL Number MFCD01074603
SMILES OB(O)C1=CC=CC(O)=C1
Synonym 3-hydroxyphenyl boronic acid,3-hydroxybenzeneboronic acid,3-hydroxyphenylboronicacid,3-hydroxyphenyl boranediol,m-hydroxyphenylboronic acid,boronic acid, 3-hydroxyphenyl,pubchem1728,3-boronophenol,acmc-209qip,3-hydroxyphenyboronic acid
IUPAC Name (3-hydroxyphenyl)boronic acid
InChI Key WFWQWTPAPNEOFE-UHFFFAOYSA-N
Molecular Formula C6H7BO3
9

3-Hydroxybenzeneboronic acid, 97%

CAS: 87199-18-6 Molecular Formula: C6H7BO3 Molecular Weight (g/mol): 137.93 MDL Number: MFCD01074603 InChI Key: WFWQWTPAPNEOFE-UHFFFAOYSA-N Synonym: 3-hydroxyphenyl boronic acid,3-hydroxybenzeneboronic acid,3-hydroxyphenylboronicacid,3-hydroxyphenyl boranediol,m-hydroxyphenylboronic acid,boronic acid, 3-hydroxyphenyl,pubchem1728,3-boronophenol,acmc-209qip,3-hydroxyphenyboronic acid PubChem CID: 2734359 IUPAC Name: (3-hydroxyphenyl)boronic acid SMILES: OB(O)C1=CC=CC(O)=C1

PubChem CID 2734359
CAS 87199-18-6
Molecular Weight (g/mol) 137.93
MDL Number MFCD01074603
SMILES OB(O)C1=CC=CC(O)=C1
Synonym 3-hydroxyphenyl boronic acid,3-hydroxybenzeneboronic acid,3-hydroxyphenylboronicacid,3-hydroxyphenyl boranediol,m-hydroxyphenylboronic acid,boronic acid, 3-hydroxyphenyl,pubchem1728,3-boronophenol,acmc-209qip,3-hydroxyphenyboronic acid
IUPAC Name (3-hydroxyphenyl)boronic acid
InChI Key WFWQWTPAPNEOFE-UHFFFAOYSA-N
Molecular Formula C6H7BO3
10

Methyl 3-(2-hydroxyphenyl)propionate, 97%

CAS: 20349-89-7 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.203 MDL Number: MFCD00067757 InChI Key: YHXYRISRGHSPNV-UHFFFAOYSA-N Synonym: methyl 3-2-hydroxyphenyl propanoate,methyl 3-2-hydroxyphenyl propionate,methyl melilotate,acmc-20aki4,methyl hydroxy-benzenepropionate,methyl 2'-hydroxyhydrocinnamate,methyl 3-hydroxyphenyl propionate,methyl 3 2-hydroxyphenyl propanoate,2-hydroxybenzenepropanoic acid methyl ester,3-2-hydroxyphenyl propionic acid methyl ester PubChem CID: 2794569 IUPAC Name: methyl 3-(2-hydroxyphenyl)propanoate SMILES: COC(=O)CCC1=CC=CC=C1O

PubChem CID 2794569
CAS 20349-89-7
Molecular Weight (g/mol) 180.203
MDL Number MFCD00067757
SMILES COC(=O)CCC1=CC=CC=C1O
Synonym methyl 3-2-hydroxyphenyl propanoate,methyl 3-2-hydroxyphenyl propionate,methyl melilotate,acmc-20aki4,methyl hydroxy-benzenepropionate,methyl 2'-hydroxyhydrocinnamate,methyl 3-hydroxyphenyl propionate,methyl 3 2-hydroxyphenyl propanoate,2-hydroxybenzenepropanoic acid methyl ester,3-2-hydroxyphenyl propionic acid methyl ester
IUPAC Name methyl 3-(2-hydroxyphenyl)propanoate
InChI Key YHXYRISRGHSPNV-UHFFFAOYSA-N
Molecular Formula C10H12O3
11

2-Hydroxybenzeneboronic acid, 97%

CAS: 89466-08-0 Molecular Formula: C6H7BO3 Molecular Weight (g/mol): 137.93 MDL Number: MFCD01074581 InChI Key: YDMRDHQUQIVWBE-UHFFFAOYSA-N Synonym: 2-hydroxyphenyl boronic acid,2-hydroxybenzeneboronic acid,o-hydroxyphenylboronic acid,2-boronophenol,2-hydroxyphenyl boranediol,2-hydroxyphenylboronicacid,boronic acid, 2-hydroxyphenyl,pubchem9522,2-hydroxyphenylboronic,acmc-209r1d PubChem CID: 2773454 IUPAC Name: (2-hydroxyphenyl)boronic acid SMILES: OB(O)C1=CC=CC=C1O

PubChem CID 2773454
CAS 89466-08-0
Molecular Weight (g/mol) 137.93
MDL Number MFCD01074581
SMILES OB(O)C1=CC=CC=C1O
Synonym 2-hydroxyphenyl boronic acid,2-hydroxybenzeneboronic acid,o-hydroxyphenylboronic acid,2-boronophenol,2-hydroxyphenyl boranediol,2-hydroxyphenylboronicacid,boronic acid, 2-hydroxyphenyl,pubchem9522,2-hydroxyphenylboronic,acmc-209r1d
IUPAC Name (2-hydroxyphenyl)boronic acid
InChI Key YDMRDHQUQIVWBE-UHFFFAOYSA-N
Molecular Formula C6H7BO3
12

3-Nitrophenol, 99%

CAS: 554-84-7 Molecular Formula: C6H5NO3 Molecular Weight (g/mol): 139.11 MDL Number: MFCD00007240 InChI Key: RTZZCYNQPHTPPL-UHFFFAOYSA-N Synonym: m-nitrophenol,3-hydroxynitrobenzene,m-hydroxynitrobenzene,phenol, 3-nitro,phenol, m-nitro,m-nitrofenol,meta-nitrophenol,3-nitro-phenol,m-nitrofenol czech,1-hydroxy-3-nitrobenzene PubChem CID: 11137 ChEBI: CHEBI:34346 IUPAC Name: 3-nitrophenol SMILES: OC1=CC=CC(=C1)[N+]([O-])=O

PubChem CID 11137
CAS 554-84-7
Molecular Weight (g/mol) 139.11
ChEBI CHEBI:34346
MDL Number MFCD00007240
SMILES OC1=CC=CC(=C1)[N+]([O-])=O
Synonym m-nitrophenol,3-hydroxynitrobenzene,m-hydroxynitrobenzene,phenol, 3-nitro,phenol, m-nitro,m-nitrofenol,meta-nitrophenol,3-nitro-phenol,m-nitrofenol czech,1-hydroxy-3-nitrobenzene
IUPAC Name 3-nitrophenol
InChI Key RTZZCYNQPHTPPL-UHFFFAOYSA-N
Molecular Formula C6H5NO3
13

2-Hydroxyphenethyl alcohol, 98%

CAS: 7768-28-7 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.17 MDL Number: MFCD00002890 InChI Key: ABFCOJLLBHXNOU-UHFFFAOYSA-N Synonym: 2-hydroxyphenethyl alcohol,2-2-hydroxyethyl phenol,2-hydroxyphenylethanol,o-2-hydroxyethyl phenol,benzeneethanol, 2-hydroxy,2-2-hydroxyphenyl ethanol,o-hydroxyphenethyl alcohol,2-o-hydroxyphenyl ethanol,2-hydroxy-benzeneethanol,beta-o-hydroxyphenyl ethanol PubChem CID: 82200 ChEBI: CHEBI:64803 IUPAC Name: 2-(2-hydroxyethyl)phenol SMILES: OCCC1=CC=CC=C1O

PubChem CID 82200
CAS 7768-28-7
Molecular Weight (g/mol) 138.17
ChEBI CHEBI:64803
MDL Number MFCD00002890
SMILES OCCC1=CC=CC=C1O
Synonym 2-hydroxyphenethyl alcohol,2-2-hydroxyethyl phenol,2-hydroxyphenylethanol,o-2-hydroxyethyl phenol,benzeneethanol, 2-hydroxy,2-2-hydroxyphenyl ethanol,o-hydroxyphenethyl alcohol,2-o-hydroxyphenyl ethanol,2-hydroxy-benzeneethanol,beta-o-hydroxyphenyl ethanol
IUPAC Name 2-(2-hydroxyethyl)phenol
InChI Key ABFCOJLLBHXNOU-UHFFFAOYSA-N
Molecular Formula C8H10O2
14

2-Hydroxyphenethyl alcohol, 98%

CAS: 7768-28-7 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.17 MDL Number: MFCD00002890 InChI Key: ABFCOJLLBHXNOU-UHFFFAOYSA-N Synonym: 2-hydroxyphenethyl alcohol,2-2-hydroxyethyl phenol,2-hydroxyphenylethanol,o-2-hydroxyethyl phenol,benzeneethanol, 2-hydroxy,2-2-hydroxyphenyl ethanol,o-hydroxyphenethyl alcohol,2-o-hydroxyphenyl ethanol,2-hydroxy-benzeneethanol,beta-o-hydroxyphenyl ethanol PubChem CID: 82200 ChEBI: CHEBI:64803 IUPAC Name: 2-(2-hydroxyethyl)phenol SMILES: OCCC1=CC=CC=C1O

PubChem CID 82200
CAS 7768-28-7
Molecular Weight (g/mol) 138.17
ChEBI CHEBI:64803
MDL Number MFCD00002890
SMILES OCCC1=CC=CC=C1O
Synonym 2-hydroxyphenethyl alcohol,2-2-hydroxyethyl phenol,2-hydroxyphenylethanol,o-2-hydroxyethyl phenol,benzeneethanol, 2-hydroxy,2-2-hydroxyphenyl ethanol,o-hydroxyphenethyl alcohol,2-o-hydroxyphenyl ethanol,2-hydroxy-benzeneethanol,beta-o-hydroxyphenyl ethanol
IUPAC Name 2-(2-hydroxyethyl)phenol
InChI Key ABFCOJLLBHXNOU-UHFFFAOYSA-N
Molecular Formula C8H10O2
15

2-Phenylphenol, 99%

CAS: 90-43-7 Molecular Formula: C12H10O Molecular Weight (g/mol): 170.21 MDL Number: MFCD00002208 InChI Key: LLEMOWNGBBNAJR-UHFFFAOYSA-N Synonym: 2-hydroxybiphenyl,o-phenylphenol,biphenyl-2-ol,2-biphenylol,o-hydroxybiphenyl,2-hydroxydiphenyl,o-hydroxydiphenyl,phenylphenol,biphenylol,1,1'-biphenyl-2-ol PubChem CID: 7017 ChEBI: CHEBI:17043 SMILES: OC1=CC=CC=C1C1=CC=CC=C1

PubChem CID 7017
CAS 90-43-7
Molecular Weight (g/mol) 170.21
ChEBI CHEBI:17043
MDL Number MFCD00002208
SMILES OC1=CC=CC=C1C1=CC=CC=C1
Synonym 2-hydroxybiphenyl,o-phenylphenol,biphenyl-2-ol,2-biphenylol,o-hydroxybiphenyl,2-hydroxydiphenyl,o-hydroxydiphenyl,phenylphenol,biphenylol,1,1'-biphenyl-2-ol
InChI Key LLEMOWNGBBNAJR-UHFFFAOYSA-N
Molecular Formula C12H10O