Benzenediols

Aromatic organic compounds that consist of a benzene ring with two hydroxyl functional group substitutions.

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Hydroquinone, 99.5%

CAS: 123-31-9 Molecular Formula: C₆H₆O₂ Molecular Weight (g/mol): 110.11 MDL Number: MFCD00002339 InChI Key: QIGBRXMKCJKVMJ-UHFFFAOYSA-N Synonym: hydroquinone,1,4-benzenediol,quinol,1,4-dihydroxybenzene,p-benzenediol,4-hydroxyphenol,p-hydroquinone,p-hydroxyphenol,p-dihydroxybenzene,benzoquinol PubChem CID: 785 ChEBI: CHEBI:17594 IUPAC Name: benzene-1,4-diol SMILES: C1=CC(=CC=C1O)O

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PubChem CID	785
CAS	123-31-9
Molecular Weight (g/mol)	110.11
ChEBI	CHEBI:17594
MDL Number	MFCD00002339
SMILES	C1=CC(=CC=C1O)O
Synonym	hydroquinone,1,4-benzenediol,quinol,1,4-dihydroxybenzene,p-benzenediol,4-hydroxyphenol,p-hydroquinone,p-hydroxyphenol,p-dihydroxybenzene,benzoquinol
IUPAC Name	benzene-1,4-diol
InChI Key	QIGBRXMKCJKVMJ-UHFFFAOYSA-N
Molecular Formula	C₆H₆O₂

Caffeic Acid 98.0+%, TCI America™

CAS: 331-39-5 Molecular Formula: C9H8O4 Molecular Weight (g/mol): 180.159 MDL Number: MFCD00004392 InChI Key: QAIPRVGONGVQAS-DUXPYHPUSA-N Synonym: caffeic acid,3,4-dihydroxycinnamic acid,3-3,4-dihydroxyphenyl acrylic acid,trans-caffeate,3,4-dihydroxy-trans-cinnamate,2e-3-3,4-dihydroxyphenyl prop-2-enoic acid,3,4-dihydroxybenzeneacrylic acid,e-3-3,4-dihydroxyphenyl acrylic acid,trans-caffeic acid,3-3,4-dihydroxyphenyl propenoic acid PubChem CID: 689043 ChEBI: CHEBI:16433 IUPAC Name: (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid SMILES: C1=CC(=C(C=C1C=CC(=O)O)O)O

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PubChem CID	689043
CAS	331-39-5
Molecular Weight (g/mol)	180.159
ChEBI	CHEBI:16433
MDL Number	MFCD00004392
SMILES	C1=CC(=C(C=C1C=CC(=O)O)O)O
Synonym	caffeic acid,3,4-dihydroxycinnamic acid,3-3,4-dihydroxyphenyl acrylic acid,trans-caffeate,3,4-dihydroxy-trans-cinnamate,2e-3-3,4-dihydroxyphenyl prop-2-enoic acid,3,4-dihydroxybenzeneacrylic acid,e-3-3,4-dihydroxyphenyl acrylic acid,trans-caffeic acid,3-3,4-dihydroxyphenyl propenoic acid
IUPAC Name	(E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
InChI Key	QAIPRVGONGVQAS-DUXPYHPUSA-N
Molecular Formula	C9H8O4

Resveratrol from Synthetic, ≥98%, MP Biomedicals™

CAS: 501-36-0 Molecular Formula: C14H12O3 Molecular Weight (g/mol): 228.247 MDL Number: MFCD00133799 InChI Key: LUKBXSAWLPMMSZ-OWOJBTEDSA-N Synonym: resveratrol,trans-resveratrol,3,4',5-trihydroxystilbene,3,5,4'-trihydroxystilbene,e-resveratrol,3,4',5-stilbenetriol,e-5-4-hydroxystyryl benzene-1,3-diol,resvida,3,4',5-trihydroxy-trans-stilbene,5-e-2-4-hydroxyphenyl ethenyl benzene-1,3-diol PubChem CID: 445154 ChEBI: CHEBI:45713 IUPAC Name: 5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol SMILES: C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)O

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Specifications

PubChem CID	445154
CAS	501-36-0
Molecular Weight (g/mol)	228.247
ChEBI	CHEBI:45713
MDL Number	MFCD00133799
SMILES	C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)O
Synonym	resveratrol,trans-resveratrol,3,4',5-trihydroxystilbene,3,5,4'-trihydroxystilbene,e-resveratrol,3,4',5-stilbenetriol,e-5-4-hydroxystyryl benzene-1,3-diol,resvida,3,4',5-trihydroxy-trans-stilbene,5-e-2-4-hydroxyphenyl ethenyl benzene-1,3-diol
IUPAC Name	5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol
InChI Key	LUKBXSAWLPMMSZ-OWOJBTEDSA-N
Molecular Formula	C14H12O3

2-Methylhydroquinone, 99%

CAS: 95-71-6 Molecular Formula: C7H8O2 Molecular Weight (g/mol): 124.14 MDL Number: MFCD00002345 InChI Key: CNHDIAIOKMXOLK-UHFFFAOYSA-N Synonym: methylhydroquinone,2-methylhydroquinone,2,5-dihydroxytoluene,p-toluhydroquinone,toluhydroquinone,toluquinol,p-toluquinol,tolylhydroquinone,p-toluhydroquinol,2,5-toluenediol PubChem CID: 7253 IUPAC Name: 2-methylbenzene-1,4-diol SMILES: CC1=CC(O)=CC=C1O

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PubChem CID	7253
CAS	95-71-6
Molecular Weight (g/mol)	124.14
MDL Number	MFCD00002345
SMILES	CC1=CC(O)=CC=C1O
Synonym	methylhydroquinone,2-methylhydroquinone,2,5-dihydroxytoluene,p-toluhydroquinone,toluhydroquinone,toluquinol,p-toluquinol,tolylhydroquinone,p-toluhydroquinol,2,5-toluenediol
IUPAC Name	2-methylbenzene-1,4-diol
InChI Key	CNHDIAIOKMXOLK-UHFFFAOYSA-N
Molecular Formula	C7H8O2

Resorcinol, 98%

CAS: 108-46-3 Molecular Formula: C₆H₆O₂ Molecular Weight (g/mol): 110.11 MDL Number: MFCD00002269 InChI Key: GHMLBKRAJCXXBS-UHFFFAOYSA-N Synonym: resorcinol,1,3-benzenediol,resorcin,1,3-dihydroxybenzene,3-hydroxyphenol,m-hydroquinone,resorcine,m-dihydroxybenzene,m-hydroxyphenol,m-benzenediol PubChem CID: 5054 ChEBI: CHEBI:27810 IUPAC Name: benzene-1,3-diol SMILES: C1=CC(=CC(=C1)O)O

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Specifications

PubChem CID	5054
CAS	108-46-3
Molecular Weight (g/mol)	110.11
ChEBI	CHEBI:27810
MDL Number	MFCD00002269
SMILES	C1=CC(=CC(=C1)O)O
Synonym	resorcinol,1,3-benzenediol,resorcin,1,3-dihydroxybenzene,3-hydroxyphenol,m-hydroquinone,resorcine,m-dihydroxybenzene,m-hydroxyphenol,m-benzenediol
IUPAC Name	benzene-1,3-diol
InChI Key	GHMLBKRAJCXXBS-UHFFFAOYSA-N
Molecular Formula	C₆H₆O₂

Thermo Scientific Chemicals Resveratrol, 99%

CAS: 501-36-0 Molecular Formula: C₁₄H₁₂O₃ Molecular Weight (g/mol): 228.24 MDL Number: MFCD00133799 InChI Key: LUKBXSAWLPMMSZ-OWOJBTEDSA-N Synonym: resveratrol,trans-resveratrol,3,4',5-trihydroxystilbene,3,5,4'-trihydroxystilbene,e-resveratrol,3,4',5-stilbenetriol,e-5-4-hydroxystyryl benzene-1,3-diol,resvida,3,4',5-trihydroxy-trans-stilbene,5-e-2-4-hydroxyphenyl ethenyl benzene-1,3-diol PubChem CID: 445154 ChEBI: CHEBI:45713 IUPAC Name: 5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol SMILES: C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)O

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Specifications

PubChem CID	445154
CAS	501-36-0
Molecular Weight (g/mol)	228.24
ChEBI	CHEBI:45713
MDL Number	MFCD00133799
SMILES	C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)O
Synonym	resveratrol,trans-resveratrol,3,4',5-trihydroxystilbene,3,5,4'-trihydroxystilbene,e-resveratrol,3,4',5-stilbenetriol,e-5-4-hydroxystyryl benzene-1,3-diol,resvida,3,4',5-trihydroxy-trans-stilbene,5-e-2-4-hydroxyphenyl ethenyl benzene-1,3-diol
IUPAC Name	5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol
InChI Key	LUKBXSAWLPMMSZ-OWOJBTEDSA-N
Molecular Formula	C₁₄H₁₂O₃

4-n-Hexylresorcinol, 99%

CAS: 136-77-6 Molecular Formula: C12H18O2 Molecular Weight (g/mol): 194.27 MDL Number: MFCD00002284 InChI Key: WFJIVOKAWHGMBH-UHFFFAOYSA-N Synonym: hexylresorcinol,4-hexylresorcinol,antascarin,ascaricid,ascarinol,4-n-hexylresorcinol,oxana,p-hexylresorcinol,adrover,caprokol PubChem CID: 3610 IUPAC Name: 4-hexylbenzene-1,3-diol SMILES: CCCCCCC1=CC=C(O)C=C1O

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Specifications

PubChem CID	3610
CAS	136-77-6
Molecular Weight (g/mol)	194.27
MDL Number	MFCD00002284
SMILES	CCCCCCC1=CC=C(O)C=C1O
Synonym	hexylresorcinol,4-hexylresorcinol,antascarin,ascaricid,ascarinol,4-n-hexylresorcinol,oxana,p-hexylresorcinol,adrover,caprokol
IUPAC Name	4-hexylbenzene-1,3-diol
InChI Key	WFJIVOKAWHGMBH-UHFFFAOYSA-N
Molecular Formula	C12H18O2

2-Methylresorcinol, 98%

CAS: 608-25-3 Molecular Formula: C7H8O2 Molecular Weight (g/mol): 124.139 MDL Number: MFCD00002271 InChI Key: ZTMADXFOCUXMJE-UHFFFAOYSA-N Synonym: 2-methylresorcinol,2,6-dihydroxytoluene,1,3-benzenediol, 2-methyl,2-methylresorcin,resorcinol, 2-methyl,toluene-2,6-diol,2-methyl-1,3-benzenediol,1,3-dihydroxy-2-methylbenzene,1,3-benzenediol, methyl,2-methyl resorcinol PubChem CID: 11843 IUPAC Name: 2-methylbenzene-1,3-diol SMILES: CC1=C(C=CC=C1O)O

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Specifications

PubChem CID	11843
CAS	608-25-3
Molecular Weight (g/mol)	124.139
MDL Number	MFCD00002271
SMILES	CC1=C(C=CC=C1O)O
Synonym	2-methylresorcinol,2,6-dihydroxytoluene,1,3-benzenediol, 2-methyl,2-methylresorcin,resorcinol, 2-methyl,toluene-2,6-diol,2-methyl-1,3-benzenediol,1,3-dihydroxy-2-methylbenzene,1,3-benzenediol, methyl,2-methyl resorcinol
IUPAC Name	2-methylbenzene-1,3-diol
InChI Key	ZTMADXFOCUXMJE-UHFFFAOYSA-N
Molecular Formula	C7H8O2

Nordihydroguaiaretic acid, 95%

CAS: 500-38-9 Molecular Formula: C₁₈H₂₂O₄ Molecular Weight (g/mol): 302.37 MDL Number: MFCD00002206 InChI Key: HCZKYJDFEPMADG-UHFFFAOYSA-N Synonym: nordihydroguaiaretic acid,ndga,dihydronorguaiaretic acid,norhydroguaiaretic acid,nordihydroguairaretic acid,norguaiaretic acid, dihydro,1,2-benzenediol, 4,4'-2,3-dimethyl-1,4-butanediyl bis,dinorguaiaretic acid, dihydro,4,4'-2,3-dimethyltetramethylene dipyrocatechol,2,3-bis 3,4-dihydroxyphenylmethyl butane PubChem CID: 4534 ChEBI: CHEBI:7625 IUPAC Name: 4-[4-(3,4-dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol SMILES: CC(CC1=CC(=C(C=C1)O)O)C(C)CC2=CC(=C(C=C2)O)O

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Specifications

PubChem CID	4534
CAS	500-38-9
Molecular Weight (g/mol)	302.37
ChEBI	CHEBI:7625
MDL Number	MFCD00002206
SMILES	CC(CC1=CC(=C(C=C1)O)O)C(C)CC2=CC(=C(C=C2)O)O
Synonym	nordihydroguaiaretic acid,ndga,dihydronorguaiaretic acid,norhydroguaiaretic acid,nordihydroguairaretic acid,norguaiaretic acid, dihydro,1,2-benzenediol, 4,4'-2,3-dimethyl-1,4-butanediyl bis,dinorguaiaretic acid, dihydro,4,4'-2,3-dimethyltetramethylene dipyrocatechol,2,3-bis 3,4-dihydroxyphenylmethyl butane
IUPAC Name	4-[4-(3,4-dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol
InChI Key	HCZKYJDFEPMADG-UHFFFAOYSA-N
Molecular Formula	C₁₈H₂₂O₄

2,5-Dihydroxybenzoic Acid Sodium Salt Hydrate 98.0+%, TCI America™

CAS: 4955-90-2 Molecular Formula: C7H5NaO4 Molecular Weight (g/mol): 176.103 MDL Number: MFCD00150273 InChI Key: MOIJZWWOFOQFMH-UHFFFAOYSA-M Synonym: Gentisic Acid Sodium Salt PubChem CID: 23663629 IUPAC Name: sodium;2,5-dihydroxybenzoate SMILES: C1=CC(=C(C=C1O)C(=O)[O-])O.[Na+]

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Specifications

PubChem CID	23663629
CAS	4955-90-2
Molecular Weight (g/mol)	176.103
MDL Number	MFCD00150273
SMILES	C1=CC(=C(C=C1O)C(=O)[O-])O.[Na+]
Synonym	Gentisic Acid Sodium Salt
IUPAC Name	sodium;2,5-dihydroxybenzoate
InChI Key	MOIJZWWOFOQFMH-UHFFFAOYSA-M
Molecular Formula	C7H5NaO4

PubChem CID	7253
CAS	95-71-6
Molecular Weight (g/mol)	124.14
MDL Number	MFCD00002345
SMILES	CC1=CC(O)=CC=C1O
Synonym	methylhydroquinone,2-methylhydroquinone,2,5-dihydroxytoluene,p-toluhydroquinone,toluhydroquinone,toluquinol,p-toluquinol,tolylhydroquinone,p-toluhydroquinol,2,5-toluenediol
IUPAC Name	2-methylbenzene-1,4-diol
InChI Key	CNHDIAIOKMXOLK-UHFFFAOYSA-N
Molecular Formula	C7H8O2

2,5-Dihydroxybenzoic acid, 99%

CAS: 490-79-9 Molecular Formula: C₇H₆O₄ Molecular Weight (g/mol): 154.12 MDL Number: MFCD00002460 InChI Key: WXTMDXOMEHJXQO-UHFFFAOYSA-N Synonym: gentisic acid,hydroquinonecarboxylic acid,benzoic acid, 2,5-dihydroxy,5-hydroxysalicylic acid,gensigen,gensigon,gentisate,2,5-dioxybenzoic acid,2,5-dhba,gentisinic acid PubChem CID: 3469 ChEBI: CHEBI:17189 IUPAC Name: 2,5-dihydroxybenzoic acid SMILES: C1=CC(=C(C=C1O)C(=O)O)O

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Specifications

PubChem CID	3469
CAS	490-79-9
Molecular Weight (g/mol)	154.12
ChEBI	CHEBI:17189
MDL Number	MFCD00002460
SMILES	C1=CC(=C(C=C1O)C(=O)O)O
Synonym	gentisic acid,hydroquinonecarboxylic acid,benzoic acid, 2,5-dihydroxy,5-hydroxysalicylic acid,gensigen,gensigon,gentisate,2,5-dioxybenzoic acid,2,5-dhba,gentisinic acid
IUPAC Name	2,5-dihydroxybenzoic acid
InChI Key	WXTMDXOMEHJXQO-UHFFFAOYSA-N
Molecular Formula	C₇H₆O₄

Quinhydrone, 98%

CAS: 106-34-3 Molecular Formula: C12H10O4 Molecular Weight (g/mol): 218.21 MDL Number: MFCD00010310 InChI Key: BDJXVNRFAQSMAA-UHFFFAOYSA-N Synonym: quinhydrone,green hydroquinone,p-benzoquinhydrone,chinhydron,chinhydron czech,unii-p4a66lq3qj,hydroquinone, compd. with p-benzoquinone,p-benzoquinone, compd. with hydroquinone,2,5-cyclohexadiene-1,4-dione, compd. with 1,4-benzenediol 1:1,p-benzoquinone-hydroquinone compound 1:1 PubChem CID: 7801 ChEBI: CHEBI:26491 IUPAC Name: benzene-1,4-diol;cyclohexa-2,5-diene-1,4-dione SMILES: OC1=CC=C(O)C=C1.O=C1C=CC(=O)C=C1

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Specifications

PubChem CID	7801
CAS	106-34-3
Molecular Weight (g/mol)	218.21
ChEBI	CHEBI:26491
MDL Number	MFCD00010310
SMILES	OC1=CC=C(O)C=C1.O=C1C=CC(=O)C=C1
Synonym	quinhydrone,green hydroquinone,p-benzoquinhydrone,chinhydron,chinhydron czech,unii-p4a66lq3qj,hydroquinone, compd. with p-benzoquinone,p-benzoquinone, compd. with hydroquinone,2,5-cyclohexadiene-1,4-dione, compd. with 1,4-benzenediol 1:1,p-benzoquinone-hydroquinone compound 1:1
IUPAC Name	benzene-1,4-diol;cyclohexa-2,5-diene-1,4-dione
InChI Key	BDJXVNRFAQSMAA-UHFFFAOYSA-N
Molecular Formula	C12H10O4

Hydroquinone 99.0+%, TCI America™

CAS: 123-31-9 Molecular Formula: C6H6O2 Molecular Weight (g/mol): 110.112 MDL Number: MFCD00002339 InChI Key: QIGBRXMKCJKVMJ-UHFFFAOYSA-N Synonym: hydroquinone,1,4-benzenediol,quinol,1,4-dihydroxybenzene,p-benzenediol,4-hydroxyphenol,p-hydroquinone,p-hydroxyphenol,p-dihydroxybenzene,benzoquinol PubChem CID: 785 ChEBI: CHEBI:17594 IUPAC Name: benzene-1,4-diol SMILES: C1=CC(=CC=C1O)O

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Specifications

PubChem CID	785
CAS	123-31-9
Molecular Weight (g/mol)	110.112
ChEBI	CHEBI:17594
MDL Number	MFCD00002339
SMILES	C1=CC(=CC=C1O)O
Synonym	hydroquinone,1,4-benzenediol,quinol,1,4-dihydroxybenzene,p-benzenediol,4-hydroxyphenol,p-hydroquinone,p-hydroxyphenol,p-dihydroxybenzene,benzoquinol
IUPAC Name	benzene-1,4-diol
InChI Key	QIGBRXMKCJKVMJ-UHFFFAOYSA-N
Molecular Formula	C6H6O2

4-Chlororesorcinol, 98%

CAS: 95-88-5 Molecular Formula: C6H5ClO2 Molecular Weight (g/mol): 144.55 MDL Number: MFCD00002273 InChI Key: JQVAPEJNIZULEK-UHFFFAOYSA-N Synonym: 4-chlororesorcinol,1,3-benzenediol, 4-chloro,p-chlororesorcinol,4-chlororesorcin,resorcinol, 4-chloro,6-chlororesorcinol,4-chloro-1,3-dihydroxybenzene,4-chloro-1,3-benzenediol,2,4-dihydroxychlorobenzene,1,3-dihydroxy-4-chlorobenzene PubChem CID: 1731 IUPAC Name: 4-chlorobenzene-1,3-diol SMILES: OC1=CC=C(Cl)C(O)=C1

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Specifications

PubChem CID	1731
CAS	95-88-5
Molecular Weight (g/mol)	144.55
MDL Number	MFCD00002273
SMILES	OC1=CC=C(Cl)C(O)=C1
Synonym	4-chlororesorcinol,1,3-benzenediol, 4-chloro,p-chlororesorcinol,4-chlororesorcin,resorcinol, 4-chloro,6-chlororesorcinol,4-chloro-1,3-dihydroxybenzene,4-chloro-1,3-benzenediol,2,4-dihydroxychlorobenzene,1,3-dihydroxy-4-chlorobenzene
IUPAC Name	4-chlorobenzene-1,3-diol
InChI Key	JQVAPEJNIZULEK-UHFFFAOYSA-N
Molecular Formula	C6H5ClO2

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