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Benzenoids

Organic compounds that are derived from or have a benzene group in their molecular structure. Benzene is an aromatic organic molecule composed of 6 carbon atoms and 6 hydrogen atoms that form a ring. Includes derivatives and substituted molecules.
Benzene and substituted derivatives (1,927)
Phenols (289)
Thiophenols (65)
Tetralins (37)
Naphthalenes (29)
Anthracenes (25)
Phenol esters (18)
Indanes (15)
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Unsubstituted Phenols (12)
Pyrenes (3)
Triphenyl compounds (3)
Ellagic acids and derivatives (2)
Dibenzocycloheptenes (1)

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Keyword Search:
1 – 15 of 1,082 results
1

Benzyl Alcohol, puriss., 99 to 100.5% (GC), Honeywell Riedel-de Haën™
BIOPHARMA

CAS: 100-51-6 Molecular Formula: C7H8O Molecular Weight (g/mol): 108.14 MDL Number: MFCD00004599,MFCD03792087 InChI Key: WVDDGKGOMKODPV-UHFFFAOYSA-N Synonym: benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol PubChem CID: 244 ChEBI: CHEBI:17987 IUPAC Name: phenylmethanol SMILES: OCC1=CC=CC=C1

PubChem CID 244
CAS 100-51-6
Molecular Weight (g/mol) 108.14
ChEBI CHEBI:17987
MDL Number MFCD00004599,MFCD03792087
SMILES OCC1=CC=CC=C1
Synonym benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol
IUPAC Name phenylmethanol
InChI Key WVDDGKGOMKODPV-UHFFFAOYSA-N
Molecular Formula C7H8O
2
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Benzyl alcohol, Puriss. p.a., ACS reagent, ≥99.0% (GC), Honeywell Riedel-de Haën™

CAS: 100-51-6 Molecular Formula: C7H8O Molecular Weight (g/mol): 108.14 MDL Number: MFCD00004599,MFCD03792087 InChI Key: WVDDGKGOMKODPV-UHFFFAOYSA-N Synonym: benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol PubChem CID: 244 ChEBI: CHEBI:17987 IUPAC Name: phenylmethanol SMILES: OCC1=CC=CC=C1

PubChem CID 244
CAS 100-51-6
Molecular Weight (g/mol) 108.14
ChEBI CHEBI:17987
MDL Number MFCD00004599,MFCD03792087
SMILES OCC1=CC=CC=C1
Synonym benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol
IUPAC Name phenylmethanol
InChI Key WVDDGKGOMKODPV-UHFFFAOYSA-N
Molecular Formula C7H8O
3

p-Cresol, Puriss p.a., ≥99.0% (GC),Honeywell™ Riedel-de-Haën™

CAS: 106-44-5 Molecular Formula: C7H8O Molecular Weight (g/mol): 108.14 MDL Number: MFCD00002376 InChI Key: IWDCLRJOBJJRNH-UHFFFAOYSA-N Synonym: p-cresol,4-cresol,4-hydroxytoluene,p-methylphenol,phenol, 4-methyl,p-hydroxytoluene,p-tolyl alcohol,p-kresol,para-cresol,p-oxytoluene PubChem CID: 2879 ChEBI: CHEBI:17847 IUPAC Name: 4-methylphenol SMILES: CC1=CC=C(C=C1)O

PubChem CID 2879
CAS 106-44-5
Molecular Weight (g/mol) 108.14
ChEBI CHEBI:17847
MDL Number MFCD00002376
SMILES CC1=CC=C(C=C1)O
Synonym p-cresol,4-cresol,4-hydroxytoluene,p-methylphenol,phenol, 4-methyl,p-hydroxytoluene,p-tolyl alcohol,p-kresol,para-cresol,p-oxytoluene
IUPAC Name 4-methylphenol
InChI Key IWDCLRJOBJJRNH-UHFFFAOYSA-N
Molecular Formula C7H8O
4

Phenylacetaldehyde, 99.5%, For GC analysis, MP Biomedicals™

CAS: 122-78-1 Molecular Formula: C8H8O Molecular Weight (g/mol): 120.15 MDL Number: MFCD00006993 InChI Key: DTUQWGWMVIHBKE-UHFFFAOYSA-N PubChem CID: 998 ChEBI: CHEBI:16424 IUPAC Name: 2-phenylacetaldehyde SMILES: O=CCC1=CC=CC=C1

PubChem CID 998
CAS 122-78-1
Molecular Weight (g/mol) 120.15
ChEBI CHEBI:16424
MDL Number MFCD00006993
SMILES O=CCC1=CC=CC=C1
IUPAC Name 2-phenylacetaldehyde
InChI Key DTUQWGWMVIHBKE-UHFFFAOYSA-N
Molecular Formula C8H8O
5

m-Nitrophenol, 99.9%, For GC analysis, MP Biomedicals™

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
6

Phenol, Honeywell Fluka™
BIOPHARMA

CAS: 108-95-2 Molecular Formula: C6H6O Molecular Weight (g/mol): 94.11 InChI Key: ISWSIDIOOBJBQZ-UHFFFAOYSA-N PubChem CID: 996 ChEBI: CHEBI:15882 IUPAC Name: phenol SMILES: OC1=CC=CC=C1

PubChem CID 996
CAS 108-95-2
Molecular Weight (g/mol) 94.11
ChEBI CHEBI:15882
SMILES OC1=CC=CC=C1
IUPAC Name phenol
InChI Key ISWSIDIOOBJBQZ-UHFFFAOYSA-N
Molecular Formula C6H6O
7

Benzyl Alcohol, puriss., Honeywell
BIOPHARMA

CAS: 100-51-6 Molecular Formula: C7H8O Molecular Weight (g/mol): 108.14 MDL Number: MFCD00004599,MFCD03792087 InChI Key: WVDDGKGOMKODPV-UHFFFAOYSA-N Synonym: benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol PubChem CID: 244 ChEBI: CHEBI:17987 IUPAC Name: phenylmethanol SMILES: OCC1=CC=CC=C1

PubChem CID 244
CAS 100-51-6
Molecular Weight (g/mol) 108.14
ChEBI CHEBI:17987
MDL Number MFCD00004599,MFCD03792087
SMILES OCC1=CC=CC=C1
Synonym benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol
IUPAC Name phenylmethanol
InChI Key WVDDGKGOMKODPV-UHFFFAOYSA-N
Molecular Formula C7H8O
9
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Anisole, ReagentPlus™, 99%, Honeywell™

CAS: 100-66-3 Molecular Formula: C7H8O Molecular Weight (g/mol): 108.14 MDL Number: MFCD00008354 InChI Key: RDOXTESZEPMUJZ-UHFFFAOYSA-N Synonym: methoxybenzene,methyl phenyl ether,benzene, methoxy,anisol,phenyl methyl ether,phenoxymethane,anizol,phenol methyl ether,methoxy-benzene PubChem CID: 7519 ChEBI: CHEBI:16579 IUPAC Name: anisole SMILES: COC1=CC=CC=C1

PubChem CID 7519
CAS 100-66-3
Molecular Weight (g/mol) 108.14
ChEBI CHEBI:16579
MDL Number MFCD00008354
SMILES COC1=CC=CC=C1
Synonym methoxybenzene,methyl phenyl ether,benzene, methoxy,anisol,phenyl methyl ether,phenoxymethane,anizol,phenol methyl ether,methoxy-benzene
IUPAC Name anisole
InChI Key RDOXTESZEPMUJZ-UHFFFAOYSA-N
Molecular Formula C7H8O
10

4-Nitrophenol, 99%

CAS: 100-02-7 Molecular Formula: C6H5NO3 Molecular Weight (g/mol): 139.11 MDL Number: MFCD00007331 InChI Key: BTJIUGUIPKRLHP-UHFFFAOYSA-N Synonym: p-nitrophenol,phenol, 4-nitro,paranitrophenol,niphen,4-hydroxynitrobenzene,p-hydroxynitrobenzene,phenol, p-nitro,mononitrophenol,paranitrofenol,paranitrofenolo PubChem CID: 980 ChEBI: CHEBI:16836 IUPAC Name: 4-nitrophenol SMILES: OC1=CC=C(C=C1)[N+]([O-])=O

PubChem CID 980
CAS 100-02-7
Molecular Weight (g/mol) 139.11
ChEBI CHEBI:16836
MDL Number MFCD00007331
SMILES OC1=CC=C(C=C1)[N+]([O-])=O
Synonym p-nitrophenol,phenol, 4-nitro,paranitrophenol,niphen,4-hydroxynitrobenzene,p-hydroxynitrobenzene,phenol, p-nitro,mononitrophenol,paranitrofenol,paranitrofenolo
IUPAC Name 4-nitrophenol
InChI Key BTJIUGUIPKRLHP-UHFFFAOYSA-N
Molecular Formula C6H5NO3
11

Diethyl phthalate, 99%

CAS: 84-66-2 Molecular Formula: C12H14O4 Molecular Weight (g/mol): 222.24 MDL Number: MFCD00009111 InChI Key: FLKPEMZONWLCSK-UHFFFAOYSA-N Synonym: diethyl phthalate,phthalic acid diethyl ester,ethyl phthalate,anozol,neantine,phthalol,solvanol,diethyl o-phthalate,palatinol a,placidol e PubChem CID: 6781 ChEBI: CHEBI:34698 IUPAC Name: diethyl benzene-1,2-dicarboxylate SMILES: CCOC(=O)C1=CC=CC=C1C(=O)OCC

EDGE
PubChem CID 6781
CAS 84-66-2
Molecular Weight (g/mol) 222.24
ChEBI CHEBI:34698
MDL Number MFCD00009111
SMILES CCOC(=O)C1=CC=CC=C1C(=O)OCC
Synonym diethyl phthalate,phthalic acid diethyl ester,ethyl phthalate,anozol,neantine,phthalol,solvanol,diethyl o-phthalate,palatinol a,placidol e
IUPAC Name diethyl benzene-1,2-dicarboxylate
InChI Key FLKPEMZONWLCSK-UHFFFAOYSA-N
Molecular Formula C12H14O4
12

4-Hydroxy-3-methoxybenzyl alcohol, 99%

CAS: 498-00-0 Molecular Formula: C8H10O3 Molecular Weight (g/mol): 154.17 MDL Number: MFCD00004659 InChI Key: ZENOXNGFMSCLLL-UHFFFAOYSA-N Synonym: vanillyl alcohol,4-hydroxy-3-methoxybenzyl alcohol,4-hydroxymethyl-2-methoxyphenol,vanillin alcohol,vanillic alcohol,4-hydroxy-3-methoxybenzenemethanol,benzenemethanol, 4-hydroxy-3-methoxy,vanillol,4-hydroxy-3-methoxybenzylalcohol,4-hydroxy-3-methoxyphenylmethanol PubChem CID: 62348 ChEBI: CHEBI:18353 IUPAC Name: 4-(hydroxymethyl)-2-methoxyphenol SMILES: COC1=CC(CO)=CC=C1O

EDGE
PubChem CID 62348
CAS 498-00-0
Molecular Weight (g/mol) 154.17
ChEBI CHEBI:18353
MDL Number MFCD00004659
SMILES COC1=CC(CO)=CC=C1O
Synonym vanillyl alcohol,4-hydroxy-3-methoxybenzyl alcohol,4-hydroxymethyl-2-methoxyphenol,vanillin alcohol,vanillic alcohol,4-hydroxy-3-methoxybenzenemethanol,benzenemethanol, 4-hydroxy-3-methoxy,vanillol,4-hydroxy-3-methoxybenzylalcohol,4-hydroxy-3-methoxyphenylmethanol
IUPAC Name 4-(hydroxymethyl)-2-methoxyphenol
InChI Key ZENOXNGFMSCLLL-UHFFFAOYSA-N
Molecular Formula C8H10O3
13

Triphenylmethane, 99+%

CAS: 519-73-3 Molecular Formula: C19H16 Molecular Weight (g/mol): 244.34 MDL Number: MFCD00004763 InChI Key: AAAQKTZKLRYKHR-UHFFFAOYSA-N Synonym: triphenylmethane,tritane,benzene, 1,1',1-methylidynetris,methane, triphenyl,diphenylmethyl benzene,1,1',1-methanetriyltribenzene,unii-8o4utw9e17,ccris 5194,triphenyl methane,triphenylmethane? PubChem CID: 10614 ChEBI: CHEBI:76212 IUPAC Name: benzhydrylbenzene SMILES: C1=CC=C(C=C1)C(C1=CC=CC=C1)C1=CC=CC=C1

EDGE
PubChem CID 10614
CAS 519-73-3
Molecular Weight (g/mol) 244.34
ChEBI CHEBI:76212
MDL Number MFCD00004763
SMILES C1=CC=C(C=C1)C(C1=CC=CC=C1)C1=CC=CC=C1
Synonym triphenylmethane,tritane,benzene, 1,1',1-methylidynetris,methane, triphenyl,diphenylmethyl benzene,1,1',1-methanetriyltribenzene,unii-8o4utw9e17,ccris 5194,triphenyl methane,triphenylmethane?
IUPAC Name benzhydrylbenzene
InChI Key AAAQKTZKLRYKHR-UHFFFAOYSA-N
Molecular Formula C19H16
14

trans-Anethole, 99%

CAS: 4180-23-8 Molecular Formula: C10H12O Molecular Weight (g/mol): 148.2 MDL Number: MFCD00009284 InChI Key: RUVINXPYWBROJD-ONEGZZNKSA-N Synonym: anethole,trans-anethole,e-anethole,4-propenylanisole,anise camphor,trans-anethol,isoestragole,e-1-methoxy-4-prop-1-en-1-yl benzene,anethol,p-anethole PubChem CID: 637563 ChEBI: CHEBI:35616 IUPAC Name: 1-methoxy-4-[(E)-prop-1-enyl]benzene SMILES: CC=CC1=CC=C(C=C1)OC

EDGE
PubChem CID 637563
CAS 4180-23-8
Molecular Weight (g/mol) 148.2
ChEBI CHEBI:35616
MDL Number MFCD00009284
SMILES CC=CC1=CC=C(C=C1)OC
Synonym anethole,trans-anethole,e-anethole,4-propenylanisole,anise camphor,trans-anethol,isoestragole,e-1-methoxy-4-prop-1-en-1-yl benzene,anethol,p-anethole
IUPAC Name 1-methoxy-4-[(E)-prop-1-enyl]benzene
InChI Key RUVINXPYWBROJD-ONEGZZNKSA-N
Molecular Formula C10H12O
15

Bis(2-ethylhexyl) terephthalate, 97%

CAS: 6422-86-2 Molecular Formula: C24H38O4 Molecular Weight (g/mol): 390.55 MDL Number: MFCD00072256 InChI Key: RWPICVVBGZBXNA-UHFFFAOYSA-N Synonym: bis 2-ethylhexyl terephthalate,kodaflex dotp,di-2-ethylhexyl terephthalate,1,4-benzenedicarboxylic acid, bis 2-ethylhexyl ester,terephthalic acid, bis 2-ethylhexyl ester,eastman 168,ccris 7052,di 2-ethylhexyl terephthalate,bis 2-ethylhexyl benzene-1,4-dicarboxylate,1,4-benzenedicarboxylic acid, 1,4-bis 2-ethylhexyl ester PubChem CID: 22932 IUPAC Name: bis(2-ethylhexyl) benzene-1,4-dicarboxylate SMILES: CCCCC(CC)COC(=O)C1=CC=C(C=C1)C(=O)OCC(CC)CCCC

EDGE
PubChem CID 22932
CAS 6422-86-2
Molecular Weight (g/mol) 390.55
MDL Number MFCD00072256
SMILES CCCCC(CC)COC(=O)C1=CC=C(C=C1)C(=O)OCC(CC)CCCC
Synonym bis 2-ethylhexyl terephthalate,kodaflex dotp,di-2-ethylhexyl terephthalate,1,4-benzenedicarboxylic acid, bis 2-ethylhexyl ester,terephthalic acid, bis 2-ethylhexyl ester,eastman 168,ccris 7052,di 2-ethylhexyl terephthalate,bis 2-ethylhexyl benzene-1,4-dicarboxylate,1,4-benzenedicarboxylic acid, 1,4-bis 2-ethylhexyl ester
IUPAC Name bis(2-ethylhexyl) benzene-1,4-dicarboxylate
InChI Key RWPICVVBGZBXNA-UHFFFAOYSA-N
Molecular Formula C24H38O4