Benzenediols

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

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3,4-Dihydroxyphenylacetic acid, 98%

CAS: 102-32-9 Molecular Formula: C₈H₈O₄ Molecular Weight (g/mol): 168.15 MDL Number: MFCD00004338 InChI Key: CFFZDZCDUFSOFZ-UHFFFAOYSA-N Synonym: 3,4-dihydroxyphenylacetic acid,dopac,homoprotocatechuic acid,2-3,4-dihydroxyphenyl acetic acid,dopacetic acid,benzeneacetic acid, 3,4-dihydroxy,dihydroxyphenylacetic acid,3,4-dihydroxybenzeneacetic acid,4-carboxymethylcatechol,homoprotocatechuate PubChem CID: 547 ChEBI: CHEBI:41941 IUPAC Name: 2-(3,4-dihydroxyphenyl)acetic acid SMILES: C1=CC(=C(C=C1CC(=O)O)O)O

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PubChem CID	547
CAS	102-32-9
Molecular Weight (g/mol)	168.15
ChEBI	CHEBI:41941
MDL Number	MFCD00004338
SMILES	C1=CC(=C(C=C1CC(=O)O)O)O
Synonym	3,4-dihydroxyphenylacetic acid,dopac,homoprotocatechuic acid,2-3,4-dihydroxyphenyl acetic acid,dopacetic acid,benzeneacetic acid, 3,4-dihydroxy,dihydroxyphenylacetic acid,3,4-dihydroxybenzeneacetic acid,4-carboxymethylcatechol,homoprotocatechuate
IUPAC Name	2-(3,4-dihydroxyphenyl)acetic acid
InChI Key	CFFZDZCDUFSOFZ-UHFFFAOYSA-N
Molecular Formula	C₈H₈O₄

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Orcinol, 98%

CAS: 504-15-4 Molecular Formula: C7H8O2 Molecular Weight (g/mol): 124.14 MDL Number: MFCD00002291 InChI Key: OIPPWFOQEKKFEE-UHFFFAOYSA-N Synonym: orcinol,3,5-dihydroxytoluene,5-methylresorcinol,1,3-dihydroxy-5-methylbenzene,orcin,5-methyl-1,3-benzenediol,5-methylresorcin,3-hydroxy-5-methylphenol,3,5-toluenediol,1,3-benzenediol, 5-methyl PubChem CID: 10436 ChEBI: CHEBI:16536 IUPAC Name: 5-methylbenzene-1,3-diol SMILES: CC1=CC(O)=CC(O)=C1

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PubChem CID	10436
CAS	504-15-4
Molecular Weight (g/mol)	124.14
ChEBI	CHEBI:16536
MDL Number	MFCD00002291
SMILES	CC1=CC(O)=CC(O)=C1
Synonym	orcinol,3,5-dihydroxytoluene,5-methylresorcinol,1,3-dihydroxy-5-methylbenzene,orcin,5-methyl-1,3-benzenediol,5-methylresorcin,3-hydroxy-5-methylphenol,3,5-toluenediol,1,3-benzenediol, 5-methyl
IUPAC Name	5-methylbenzene-1,3-diol
InChI Key	OIPPWFOQEKKFEE-UHFFFAOYSA-N
Molecular Formula	C7H8O2

DL-Isoproterenol hydrochloride, 98%

CAS: 51-30-9 Molecular Formula: C11H18ClNO3 Molecular Weight (g/mol): 247.72 MDL Number: MFCD00012603,MFCD00064548 InChI Key: IROWCYIEJAOFOW-UHFFFAOYNA-N Synonym: isoprenaline hydrochloride,isoproterenol hydrochloride,isuprel,euspiran,isoprenaline hcl,isoproterenol hcl,aerolone,aerotrol,izadrin,vapo-iso PubChem CID: 5807 IUPAC Name: hydrogen 4-{1-hydroxy-2-[(propan-2-yl)amino]ethyl}benzene-1,2-diol chloride SMILES: [H+].[Cl-].CC(C)NCC(O)C1=CC=C(O)C(O)=C1

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PubChem CID	5807
CAS	51-30-9
Molecular Weight (g/mol)	247.72
MDL Number	MFCD00012603,MFCD00064548
SMILES	[H+].[Cl-].CC(C)NCC(O)C1=CC=C(O)C(O)=C1
Synonym	isoprenaline hydrochloride,isoproterenol hydrochloride,isuprel,euspiran,isoprenaline hcl,isoproterenol hcl,aerolone,aerotrol,izadrin,vapo-iso
IUPAC Name	hydrogen 4-{1-hydroxy-2-[(propan-2-yl)amino]ethyl}benzene-1,2-diol chloride
InChI Key	IROWCYIEJAOFOW-UHFFFAOYNA-N
Molecular Formula	C11H18ClNO3

Nordihydroguaiaretic acid, 97%

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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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

4-Methylcatechol, 98%

CAS: 452-86-8 Molecular Formula: C7H8O2 Molecular Weight (g/mol): 124.14 MDL Number: MFCD00002205 InChI Key: ZBCATMYQYDCTIZ-UHFFFAOYSA-N Synonym: 4-methylcatechol,3,4-dihydroxytoluene,homocatechol,4-methyl-1,2-benzenediol,p-methylcatechol,4-methylpyrocatechol,homopyrocatechol,1,2-dihydroxy-4-methylbenzene,p-methylpyrocatechol,toluene-3,4-diol PubChem CID: 9958 ChEBI: CHEBI:17254 IUPAC Name: 4-methylbenzene-1,2-diol SMILES: CC1=CC=C(O)C(O)=C1

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PubChem CID	9958
CAS	452-86-8
Molecular Weight (g/mol)	124.14
ChEBI	CHEBI:17254
MDL Number	MFCD00002205
SMILES	CC1=CC=C(O)C(O)=C1
Synonym	4-methylcatechol,3,4-dihydroxytoluene,homocatechol,4-methyl-1,2-benzenediol,p-methylcatechol,4-methylpyrocatechol,homopyrocatechol,1,2-dihydroxy-4-methylbenzene,p-methylpyrocatechol,toluene-3,4-diol
IUPAC Name	4-methylbenzene-1,2-diol
InChI Key	ZBCATMYQYDCTIZ-UHFFFAOYSA-N
Molecular Formula	C7H8O2

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3,4-Dihydroxybenzylamine hydrobromide, 98%

CAS: 16290-26-9 Molecular Formula: C7H10BrNO2 Molecular Weight (g/mol): 220.07 MDL Number: MFCD00012859 InChI Key: BVFZTXFCZAXSHN-UHFFFAOYSA-N Synonym: 3,4-dihydroxybenzylamine hydrobromide,4-aminomethyl benzene-1,2-diol hydrobromide,dhba hydrobromide,acmc-1afa4,1, 4-aminomethyl-, hydrobromide,4-aminomethyl catechol hydrobromide,3,4 dihydroxybenzylamine hydrobromide,3,4-dihy-droxybenzylamine hydrobromide,3,4-dihydroxy benzylamine hydrobromide,4-aminomethyl benzene-1,2-diol, bromide PubChem CID: 13343562 IUPAC Name: 4-(aminomethyl)benzene-1,2-diol;hydrobromide SMILES: [H+].[Br-].NCC1=CC=C(O)C(O)=C1

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PubChem CID	13343562
CAS	16290-26-9
Molecular Weight (g/mol)	220.07
MDL Number	MFCD00012859
SMILES	[H+].[Br-].NCC1=CC=C(O)C(O)=C1
Synonym	3,4-dihydroxybenzylamine hydrobromide,4-aminomethyl benzene-1,2-diol hydrobromide,dhba hydrobromide,acmc-1afa4,1, 4-aminomethyl-, hydrobromide,4-aminomethyl catechol hydrobromide,3,4 dihydroxybenzylamine hydrobromide,3,4-dihy-droxybenzylamine hydrobromide,3,4-dihydroxy benzylamine hydrobromide,4-aminomethyl benzene-1,2-diol, bromide
IUPAC Name	4-(aminomethyl)benzene-1,2-diol;hydrobromide
InChI Key	BVFZTXFCZAXSHN-UHFFFAOYSA-N
Molecular Formula	C7H10BrNO2

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4-Ethylcatechol, 98%

CAS: 1124-39-6 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.17 MDL Number: MFCD00015847 InChI Key: HFLGBNBLMBSXEM-UHFFFAOYSA-N Synonym: 4-ethylcatechol,4-ethylpyrocatechol,4-ethyl-1,2-benzenediol,unii-574jv8byr2,1,2-benzenediol, 4-ethyl,benzenediol, 4-ethyl,3,4-dihydroxyethylbenzene,ethylcatechol,4-ethyl catechol,4-ethylc atechol PubChem CID: 70761 IUPAC Name: 4-ethylbenzene-1,2-diol SMILES: CCC1=CC=C(O)C(O)=C1

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PubChem CID	70761
CAS	1124-39-6
Molecular Weight (g/mol)	138.17
MDL Number	MFCD00015847
SMILES	CCC1=CC=C(O)C(O)=C1
Synonym	4-ethylcatechol,4-ethylpyrocatechol,4-ethyl-1,2-benzenediol,unii-574jv8byr2,1,2-benzenediol, 4-ethyl,benzenediol, 4-ethyl,3,4-dihydroxyethylbenzene,ethylcatechol,4-ethyl catechol,4-ethylc atechol
IUPAC Name	4-ethylbenzene-1,2-diol
InChI Key	HFLGBNBLMBSXEM-UHFFFAOYSA-N
Molecular Formula	C8H10O2

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Catechol, 99+%

CAS: 120-80-9 Molecular Formula: C6H6O2 Molecular Weight (g/mol): 110.11 MDL Number: MFCD00002188 InChI Key: YCIMNLLNPGFGHC-UHFFFAOYSA-N Synonym: pyrocatechol,catechol,1,2-dihydroxybenzene,1,2-benzenediol,pyrocatechin,2-hydroxyphenol,o-benzenediol,pyrocatechine,o-dihydroxybenzene,o-dioxybenzene PubChem CID: 289 ChEBI: CHEBI:18135 IUPAC Name: benzene-1,2-diol SMILES: OC1=CC=CC=C1O

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PubChem CID	289
CAS	120-80-9
Molecular Weight (g/mol)	110.11
ChEBI	CHEBI:18135
MDL Number	MFCD00002188
SMILES	OC1=CC=CC=C1O
Synonym	pyrocatechol,catechol,1,2-dihydroxybenzene,1,2-benzenediol,pyrocatechin,2-hydroxyphenol,o-benzenediol,pyrocatechine,o-dihydroxybenzene,o-dioxybenzene
IUPAC Name	benzene-1,2-diol
InChI Key	YCIMNLLNPGFGHC-UHFFFAOYSA-N
Molecular Formula	C6H6O2

Resorcinol, ACS, 99.0-100.5%

CAS: 108-46-3 Molecular Formula: C6H6O2 Molecular Weight (g/mol): 110.112 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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PubChem CID	5054
CAS	108-46-3
Molecular Weight (g/mol)	110.112
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

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PubChem CID	289
CAS	120-80-9
Molecular Weight (g/mol)	110.11
ChEBI	CHEBI:18135
MDL Number	MFCD00002188
SMILES	OC1=CC=CC=C1O
Synonym	pyrocatechol,catechol,1,2-dihydroxybenzene,1,2-benzenediol,pyrocatechin,2-hydroxyphenol,o-benzenediol,pyrocatechine,o-dihydroxybenzene,o-dioxybenzene
IUPAC Name	benzene-1,2-diol
InChI Key	YCIMNLLNPGFGHC-UHFFFAOYSA-N
Molecular Formula	C6H6O2

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Resorcinol, 99%

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Specifications

PubChem CID	5054
CAS	108-46-3
Molecular Weight (g/mol)	110.112
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

Resveratrol 99.0+%, TCI America™

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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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

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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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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

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Orcinol Monohydrate, 99%

CAS: 6153-39-5 Molecular Formula: C₇H₈O₂·H₂O Molecular Weight (g/mol): 142.15 MDL Number: MFCD00149092 InChI Key: NBKPNAMTHBIMLA-UHFFFAOYSA-N Synonym: 5-methylbenzene-1,3-diol hydrate,orcinol monohydrate,5-methylresorcinol monohydrate,3,5-dihydroxytoluene monohydrate,orcinol hydrate,resorcinol, 5-methyl-, monohydrate,1,3-benzenediol, 5-methyl-, monohydrate,1,3-dihydroxy-5-methylbenzene monohydrate,acmc-209mtl,5-methylresorcinol hydrate PubChem CID: 3083941 IUPAC Name: 5-methylbenzene-1,3-diol;hydrate SMILES: CC1=CC(=CC(=C1)O)O.O

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PubChem CID	3083941
CAS	6153-39-5
Molecular Weight (g/mol)	142.15
MDL Number	MFCD00149092
SMILES	CC1=CC(=CC(=C1)O)O.O
Synonym	5-methylbenzene-1,3-diol hydrate,orcinol monohydrate,5-methylresorcinol monohydrate,3,5-dihydroxytoluene monohydrate,orcinol hydrate,resorcinol, 5-methyl-, monohydrate,1,3-benzenediol, 5-methyl-, monohydrate,1,3-dihydroxy-5-methylbenzene monohydrate,acmc-209mtl,5-methylresorcinol hydrate
IUPAC Name	5-methylbenzene-1,3-diol;hydrate
InChI Key	NBKPNAMTHBIMLA-UHFFFAOYSA-N
Molecular Formula	C₇H₈O₂·H₂O

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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Specifications

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

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