Benzenoids
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Ethyl 4-Hydroxybenzoate 99.0+%, TCI America™
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CAS: 120-47-8 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00002353 InChI Key: NUVBSKCKDOMJSU-UHFFFAOYSA-N Synonym: ethylparaben,ethyl paraben,ethyl p-hydroxybenzoate,mycocten,ethyl parasept,4-hydroxybenzoic acid ethyl ester,easeptol,ethyl butex,ethyl parahydroxybenzoate,tegosept e PubChem CID: 8434 ChEBI: CHEBI:86616 IUPAC Name: ethyl 4-hydroxybenzoate SMILES: CCOC(=O)C1=CC=C(C=C1)O
| PubChem CID | 8434 |
|---|---|
| CAS | 120-47-8 |
| Molecular Weight (g/mol) | 166.176 |
| ChEBI | CHEBI:86616 |
| MDL Number | MFCD00002353 |
| SMILES | CCOC(=O)C1=CC=C(C=C1)O |
| Synonym | ethylparaben,ethyl paraben,ethyl p-hydroxybenzoate,mycocten,ethyl parasept,4-hydroxybenzoic acid ethyl ester,easeptol,ethyl butex,ethyl parahydroxybenzoate,tegosept e |
| IUPAC Name | ethyl 4-hydroxybenzoate |
| InChI Key | NUVBSKCKDOMJSU-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
Benzyl Benzoate 99.0+%, TCI America™
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CAS: 120-51-4 Molecular Formula: C14H12O2 Molecular Weight (g/mol): 212.25 MDL Number: MFCD00003075 InChI Key: SESFRYSPDFLNCH-UHFFFAOYSA-N Synonym: ascabiol,benylate,novoscabin,benzoic acid, phenylmethyl ester,scabitox,scobenol,ascabin,benzyl phenylformate,benzoic acid, benzyl ester,phenylmethyl benzoate PubChem CID: 2345 ChEBI: CHEBI:41237 IUPAC Name: benzyl benzoate SMILES: O=C(OCC1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 2345 |
|---|---|
| CAS | 120-51-4 |
| Molecular Weight (g/mol) | 212.25 |
| ChEBI | CHEBI:41237 |
| MDL Number | MFCD00003075 |
| SMILES | O=C(OCC1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | ascabiol,benylate,novoscabin,benzoic acid, phenylmethyl ester,scabitox,scobenol,ascabin,benzyl phenylformate,benzoic acid, benzyl ester,phenylmethyl benzoate |
| IUPAC Name | benzyl benzoate |
| InChI Key | SESFRYSPDFLNCH-UHFFFAOYSA-N |
| Molecular Formula | C14H12O2 |
2-Bromophenol 98.0+%, TCI America™
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CAS: 95-56-7 Molecular Formula: C6H5BrO Molecular Weight (g/mol): 173.009 MDL Number: MFCD00002146 InChI Key: VADKRMSMGWJZCF-UHFFFAOYSA-N Synonym: o-bromophenol,phenol, 2-bromo,bromophenol,2-bromfenol,2-bromo phenol,2-bromo-phenol,phenol, o-bromo,o-bromo-phenol,phenol, bromo,2-bromfenol czech PubChem CID: 7244 IUPAC Name: 2-bromophenol SMILES: C1=CC=C(C(=C1)O)Br
| PubChem CID | 7244 |
|---|---|
| CAS | 95-56-7 |
| Molecular Weight (g/mol) | 173.009 |
| MDL Number | MFCD00002146 |
| SMILES | C1=CC=C(C(=C1)O)Br |
| Synonym | o-bromophenol,phenol, 2-bromo,bromophenol,2-bromfenol,2-bromo phenol,2-bromo-phenol,phenol, o-bromo,o-bromo-phenol,phenol, bromo,2-bromfenol czech |
| IUPAC Name | 2-bromophenol |
| InChI Key | VADKRMSMGWJZCF-UHFFFAOYSA-N |
| Molecular Formula | C6H5BrO |
4-Methylstyrene (stabilized with TBC) 96.0+%, TCI America™
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CAS: 622-97-9 Molecular Formula: C9H10 Molecular Weight (g/mol): 118.18 MDL Number: MFCD00008621 InChI Key: JLBJTVDPSNHSKJ-UHFFFAOYSA-N Synonym: 4-methylstyrene,1-methyl-4-vinylbenzene,p-methylstyrene,4-vinyltoluene,p-vinyltoluene,benzene, 1-ethenyl-4-methyl,styrene, p-methyl,p-methyl styrene,1-p-tolylethene,para-methylstyrene PubChem CID: 12161 IUPAC Name: 1-ethenyl-4-methylbenzene SMILES: CC1=CC=C(C=C)C=C1
| PubChem CID | 12161 |
|---|---|
| CAS | 622-97-9 |
| Molecular Weight (g/mol) | 118.18 |
| MDL Number | MFCD00008621 |
| SMILES | CC1=CC=C(C=C)C=C1 |
| Synonym | 4-methylstyrene,1-methyl-4-vinylbenzene,p-methylstyrene,4-vinyltoluene,p-vinyltoluene,benzene, 1-ethenyl-4-methyl,styrene, p-methyl,p-methyl styrene,1-p-tolylethene,para-methylstyrene |
| IUPAC Name | 1-ethenyl-4-methylbenzene |
| InChI Key | JLBJTVDPSNHSKJ-UHFFFAOYSA-N |
| Molecular Formula | C9H10 |
Anisole 99.0+%, TCI America™
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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 |
p-Xylylenediamine 99.0+%, TCI America™
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CAS: 539-48-0 Molecular Formula: C8H12N2 Molecular Weight (g/mol): 136.198 MDL Number: MFCD00009821 InChI Key: ISKQADXMHQSTHK-UHFFFAOYSA-N Synonym: p-xylylenediamine,1,4-phenylenedimethanamine,1,4-bis aminomethyl benzene,1,4-benzenedimethanamine,1,4-xylylenediamine,p-xylylendiamine,4-aminomethylbenzylamine,p-xylylendiamine czech,p-phenylenebis methylamine,4-aminomethyl phenyl methanamine PubChem CID: 68315 IUPAC Name: [4-(aminomethyl)phenyl]methanamine SMILES: C1=CC(=CC=C1CN)CN
| PubChem CID | 68315 |
|---|---|
| CAS | 539-48-0 |
| Molecular Weight (g/mol) | 136.198 |
| MDL Number | MFCD00009821 |
| SMILES | C1=CC(=CC=C1CN)CN |
| Synonym | p-xylylenediamine,1,4-phenylenedimethanamine,1,4-bis aminomethyl benzene,1,4-benzenedimethanamine,1,4-xylylenediamine,p-xylylendiamine,4-aminomethylbenzylamine,p-xylylendiamine czech,p-phenylenebis methylamine,4-aminomethyl phenyl methanamine |
| IUPAC Name | [4-(aminomethyl)phenyl]methanamine |
| InChI Key | ISKQADXMHQSTHK-UHFFFAOYSA-N |
| Molecular Formula | C8H12N2 |
Ethyl o-Toluate 98.0+%, TCI America™
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CAS: 87-24-1 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.204 MDL Number: MFCD00009112 InChI Key: SOUAXOGPALPTTC-UHFFFAOYSA-N Synonym: ethyl o-toluate,ethyl o-methylbenzoate,ethyl orthotoluate,2-methylbenzoic acid ethyl ester,benzoic acid, 2-methyl-, ethyl ester,ethyl-o-toluate,2-methyl-benzoic acid ethyl ester,o-toluic acid ethyl ester,ethyl-2-methylbenzoate,ethylo-toluate PubChem CID: 66598 IUPAC Name: ethyl 2-methylbenzoate SMILES: CCOC(=O)C1=CC=CC=C1C
| PubChem CID | 66598 |
|---|---|
| CAS | 87-24-1 |
| Molecular Weight (g/mol) | 164.204 |
| MDL Number | MFCD00009112 |
| SMILES | CCOC(=O)C1=CC=CC=C1C |
| Synonym | ethyl o-toluate,ethyl o-methylbenzoate,ethyl orthotoluate,2-methylbenzoic acid ethyl ester,benzoic acid, 2-methyl-, ethyl ester,ethyl-o-toluate,2-methyl-benzoic acid ethyl ester,o-toluic acid ethyl ester,ethyl-2-methylbenzoate,ethylo-toluate |
| IUPAC Name | ethyl 2-methylbenzoate |
| InChI Key | SOUAXOGPALPTTC-UHFFFAOYSA-N |
| Molecular Formula | C10H12O2 |
Propyl Benzoate 99.0+%, TCI America™
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CAS: 2315-68-6 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.204 MDL Number: MFCD00009370 InChI Key: UDEWPOVQBGFNGE-UHFFFAOYSA-N Synonym: n-propyl benzoate,benzoic acid, propyl ester,benzoic acid n-propyl ester,propyl benzenecarboxylate,benzoic acid propyl ester,unii-vwk210b7ws,benzoate de propyle,vwk210b7ws,dsstox_cid_24878,dsstox_rid_80552 PubChem CID: 16846 IUPAC Name: propyl benzoate SMILES: CCCOC(=O)C1=CC=CC=C1
| PubChem CID | 16846 |
|---|---|
| CAS | 2315-68-6 |
| Molecular Weight (g/mol) | 164.204 |
| MDL Number | MFCD00009370 |
| SMILES | CCCOC(=O)C1=CC=CC=C1 |
| Synonym | n-propyl benzoate,benzoic acid, propyl ester,benzoic acid n-propyl ester,propyl benzenecarboxylate,benzoic acid propyl ester,unii-vwk210b7ws,benzoate de propyle,vwk210b7ws,dsstox_cid_24878,dsstox_rid_80552 |
| IUPAC Name | propyl benzoate |
| InChI Key | UDEWPOVQBGFNGE-UHFFFAOYSA-N |
| Molecular Formula | C10H12O2 |
Sodium 1,2-Naphthoquinone-4-sulfonate 98.0+%, TCI America™
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CAS: 521-24-4 Molecular Formula: C10H5NaO5S Molecular Weight (g/mol): 260.195 MDL Number: MFCD00001700 InChI Key: UBLXEEBHYISRFM-UHFFFAOYSA-M Synonym: 1,2-naphthoquinone-4-sulfonic acid sodium salt,sodium 1,2-naphthoquinone-4-sulfonate,sodium beta-naphthoquinone-4-sulfonate,sodium 3,4-dioxonaphthalene-1-sulfonate,sodium 3,4-dioxo-3,4-dihydronaphthalene-1-sulfonate,unii-t7185hp5sh,sodium 3,4-dioxonaphthalene-1-sulphonate,beta-naphthoquinone-4-sulfonate sodium salt,1-naphthalenesulfonic acid, 3,4-dihydro-3,4-dioxo-, sodium salt,chembl61245 PubChem CID: 516996 IUPAC Name: sodium;3,4-dioxonaphthalene-1-sulfonate SMILES: C1=CC=C2C(=C1)C(=CC(=O)C2=O)S(=O)(=O)[O-].[Na+]
| PubChem CID | 516996 |
|---|---|
| CAS | 521-24-4 |
| Molecular Weight (g/mol) | 260.195 |
| MDL Number | MFCD00001700 |
| SMILES | C1=CC=C2C(=C1)C(=CC(=O)C2=O)S(=O)(=O)[O-].[Na+] |
| Synonym | 1,2-naphthoquinone-4-sulfonic acid sodium salt,sodium 1,2-naphthoquinone-4-sulfonate,sodium beta-naphthoquinone-4-sulfonate,sodium 3,4-dioxonaphthalene-1-sulfonate,sodium 3,4-dioxo-3,4-dihydronaphthalene-1-sulfonate,unii-t7185hp5sh,sodium 3,4-dioxonaphthalene-1-sulphonate,beta-naphthoquinone-4-sulfonate sodium salt,1-naphthalenesulfonic acid, 3,4-dihydro-3,4-dioxo-, sodium salt,chembl61245 |
| IUPAC Name | sodium;3,4-dioxonaphthalene-1-sulfonate |
| InChI Key | UBLXEEBHYISRFM-UHFFFAOYSA-M |
| Molecular Formula | C10H5NaO5S |
Cumene 99.0+%, TCI America™
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CAS: 98-82-8 Molecular Formula: C9H12 Molecular Weight (g/mol): 120.195 MDL Number: MFCD00008881 InChI Key: RWGFKTVRMDUZSP-UHFFFAOYSA-N Synonym: isopropylbenzene,2-phenylpropane,cumol,benzene, 1-methylethyl,1-methylethyl benzene,isopropylbenzol,cumeen,isopropilbenzene,isopropylbenzeen,2-fenilpropano PubChem CID: 7406 ChEBI: CHEBI:34656 IUPAC Name: cumene SMILES: CC(C)C1=CC=CC=C1
| PubChem CID | 7406 |
|---|---|
| CAS | 98-82-8 |
| Molecular Weight (g/mol) | 120.195 |
| ChEBI | CHEBI:34656 |
| MDL Number | MFCD00008881 |
| SMILES | CC(C)C1=CC=CC=C1 |
| Synonym | isopropylbenzene,2-phenylpropane,cumol,benzene, 1-methylethyl,1-methylethyl benzene,isopropylbenzol,cumeen,isopropilbenzene,isopropylbenzeen,2-fenilpropano |
| IUPAC Name | cumene |
| InChI Key | RWGFKTVRMDUZSP-UHFFFAOYSA-N |
| Molecular Formula | C9H12 |
Propyl 4-Hydroxybenzoate 99.0+%, TCI America™
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CAS: 94-13-3 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.203 MDL Number: MFCD00002354 InChI Key: QELSKZZBTMNZEB-UHFFFAOYSA-N Synonym: propylparaben,propyl paraben,4-hydroxybenzoic acid propyl ester,propyl p-hydroxybenzoate,nipasol,nipazol,propyl butex,betacide p,propyl parahydroxybenzoate,propylparasept PubChem CID: 7175 ChEBI: CHEBI:32063 IUPAC Name: propyl 4-hydroxybenzoate SMILES: CCCOC(=O)C1=CC=C(C=C1)O
| PubChem CID | 7175 |
|---|---|
| CAS | 94-13-3 |
| Molecular Weight (g/mol) | 180.203 |
| ChEBI | CHEBI:32063 |
| MDL Number | MFCD00002354 |
| SMILES | CCCOC(=O)C1=CC=C(C=C1)O |
| Synonym | propylparaben,propyl paraben,4-hydroxybenzoic acid propyl ester,propyl p-hydroxybenzoate,nipasol,nipazol,propyl butex,betacide p,propyl parahydroxybenzoate,propylparasept |
| IUPAC Name | propyl 4-hydroxybenzoate |
| InChI Key | QELSKZZBTMNZEB-UHFFFAOYSA-N |
| Molecular Formula | C10H12O3 |
Ethyl 4-Aminobenzoate 99.0+%, TCI America™
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CAS: 94-09-7 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.19 MDL Number: MFCD00007892 InChI Key: BLFLLBZGZJTVJG-UHFFFAOYSA-N Synonym: benzocaine,ethyl aminobenzoate,ethyl p-aminobenzoate,americaine,anesthesin,anaesthesin,ethoform,norcaine,orthesin,parathesin PubChem CID: 2337 ChEBI: CHEBI:116735 IUPAC Name: ethyl 4-aminobenzoate SMILES: CCOC(=O)C1=CC=C(N)C=C1
| PubChem CID | 2337 |
|---|---|
| CAS | 94-09-7 |
| Molecular Weight (g/mol) | 165.19 |
| ChEBI | CHEBI:116735 |
| MDL Number | MFCD00007892 |
| SMILES | CCOC(=O)C1=CC=C(N)C=C1 |
| Synonym | benzocaine,ethyl aminobenzoate,ethyl p-aminobenzoate,americaine,anesthesin,anaesthesin,ethoform,norcaine,orthesin,parathesin |
| IUPAC Name | ethyl 4-aminobenzoate |
| InChI Key | BLFLLBZGZJTVJG-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO2 |
Butenafine Hydrochloride 98.0+%, TCI America™
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CAS: 101827-46-7 Molecular Formula: C23H28ClN Molecular Weight (g/mol): 353.934 MDL Number: MFCD00917064 InChI Key: LJBSAUIFGPSHCN-UHFFFAOYSA-N PubChem CID: 443867 ChEBI: CHEBI:31325 IUPAC Name: 1-(4-tert-butylphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)methanamine;hydrochloride SMILES: CC(C)(C)C1=CC=C(C=C1)CN(C)CC2=CC=CC3=CC=CC=C32.Cl
| PubChem CID | 443867 |
|---|---|
| CAS | 101827-46-7 |
| Molecular Weight (g/mol) | 353.934 |
| ChEBI | CHEBI:31325 |
| MDL Number | MFCD00917064 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)CN(C)CC2=CC=CC3=CC=CC=C32.Cl |
| IUPAC Name | 1-(4-tert-butylphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)methanamine;hydrochloride |
| InChI Key | LJBSAUIFGPSHCN-UHFFFAOYSA-N |
| Molecular Formula | C23H28ClN |
2-Propylphenol 98.0+%, TCI America™
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CAS: 644-35-9 Molecular Formula: C9H12O Molecular Weight (g/mol): 136.194 MDL Number: MFCD00002251 InChI Key: LCHYEKKJCUJAKN-UHFFFAOYSA-N Synonym: 2-n-propylphenol,o-propylphenol,phenol, 2-propyl,phenol, o-propyl,1-hydroxy-2-n-propylbenzene,1-2-hydroxyphenyl propane,propylphenol,2-propyl-phenol,o-n-propylphenol,unii-333r6f6t3n PubChem CID: 12570 IUPAC Name: 2-propylphenol SMILES: CCCC1=CC=CC=C1O
| PubChem CID | 12570 |
|---|---|
| CAS | 644-35-9 |
| Molecular Weight (g/mol) | 136.194 |
| MDL Number | MFCD00002251 |
| SMILES | CCCC1=CC=CC=C1O |
| Synonym | 2-n-propylphenol,o-propylphenol,phenol, 2-propyl,phenol, o-propyl,1-hydroxy-2-n-propylbenzene,1-2-hydroxyphenyl propane,propylphenol,2-propyl-phenol,o-n-propylphenol,unii-333r6f6t3n |
| IUPAC Name | 2-propylphenol |
| InChI Key | LCHYEKKJCUJAKN-UHFFFAOYSA-N |
| Molecular Formula | C9H12O |
Veratryl Alcohol 98.0+%, TCI America™
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CAS: 93-03-8 Molecular Formula: C9H12O3 Molecular Weight (g/mol): 168.192 MDL Number: MFCD00004638 InChI Key: OEGPRYNGFWGMMV-UHFFFAOYSA-N Synonym: 3,4-dimethoxybenzyl alcohol,veratryl alcohol,3,4-dimethoxyphenyl methanol,benzenemethanol, 3,4-dimethoxy,3,4-dimethoxyphenylmethyl alcohol,veratrole alcohol,3,4-dimethoxybenzenemethanol,unii-mb4t4a711h,3,4-dimethoxyphenyl-methanol PubChem CID: 7118 ChEBI: CHEBI:62150 IUPAC Name: (3,4-dimethoxyphenyl)methanol SMILES: COC1=C(C=C(C=C1)CO)OC
| PubChem CID | 7118 |
|---|---|
| CAS | 93-03-8 |
| Molecular Weight (g/mol) | 168.192 |
| ChEBI | CHEBI:62150 |
| MDL Number | MFCD00004638 |
| SMILES | COC1=C(C=C(C=C1)CO)OC |
| Synonym | 3,4-dimethoxybenzyl alcohol,veratryl alcohol,3,4-dimethoxyphenyl methanol,benzenemethanol, 3,4-dimethoxy,3,4-dimethoxyphenylmethyl alcohol,veratrole alcohol,3,4-dimethoxybenzenemethanol,unii-mb4t4a711h,3,4-dimethoxyphenyl-methanol |
| IUPAC Name | (3,4-dimethoxyphenyl)methanol |
| InChI Key | OEGPRYNGFWGMMV-UHFFFAOYSA-N |
| Molecular Formula | C9H12O3 |