Aromatic hydrocarbons

Organic compounds made up entirely of hydrogen and carbon elements usually organized in a chain, and have an aromatic (aryl) functional group.

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1,2,4-Trimethylbenzene, 98%

CAS: 95-63-6 Molecular Formula: C9H12 Molecular Weight (g/mol): 120.195 MDL Number: MFCD00008527 InChI Key: GWHJZXXIDMPWGX-UHFFFAOYSA-N Synonym: pseudocumene,pseudocumol,psi-cumene,as-trimethylbenzene,1,3,4-trimethylbenzene,benzene, 1,2,4-trimethyl,uns-trimethylbenzene,1,2,5-trimethylbenzene,asymmetrical trimethylbenzene,.psi.-cumene PubChem CID: 7247 ChEBI: CHEBI:34039 IUPAC Name: 1,2,4-trimethylbenzene SMILES: CC1=CC(=C(C=C1)C)C

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PubChem CID	7247
CAS	95-63-6
Molecular Weight (g/mol)	120.195
ChEBI	CHEBI:34039
MDL Number	MFCD00008527
SMILES	CC1=CC(=C(C=C1)C)C
Synonym	pseudocumene,pseudocumol,psi-cumene,as-trimethylbenzene,1,3,4-trimethylbenzene,benzene, 1,2,4-trimethyl,uns-trimethylbenzene,1,2,5-trimethylbenzene,asymmetrical trimethylbenzene,.psi.-cumene
IUPAC Name	1,2,4-trimethylbenzene
InChI Key	GWHJZXXIDMPWGX-UHFFFAOYSA-N
Molecular Formula	C9H12

Ethylbenzene, ≥99 %

CAS: 100-41-4 Molecular Formula: C8H10 Molecular Weight (g/mol): 106.168 MDL Number: MFCD00011647 InChI Key: YNQLUTRBYVCPMQ-UHFFFAOYSA-N Synonym: phenylethane,ethylbenzol,benzene, ethyl,aethylbenzol,ethylenzene,ethyl benzene,ethylbenzeen,etilbenzene,etylobenzen,alpha-methyltoluene PubChem CID: 7500 ChEBI: CHEBI:16101 IUPAC Name: ethylbenzene SMILES: CCC1=CC=CC=C1

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PubChem CID	7500
CAS	100-41-4
Molecular Weight (g/mol)	106.168
ChEBI	CHEBI:16101
MDL Number	MFCD00011647
SMILES	CCC1=CC=CC=C1
Synonym	phenylethane,ethylbenzol,benzene, ethyl,aethylbenzol,ethylenzene,ethyl benzene,ethylbenzeen,etilbenzene,etylobenzen,alpha-methyltoluene
IUPAC Name	ethylbenzene
InChI Key	YNQLUTRBYVCPMQ-UHFFFAOYSA-N
Molecular Formula	C8H10

2-Ethyltoluene, 98+%

CAS: 611-14-3 Molecular Formula: C9H12 Molecular Weight (g/mol): 120.195 MDL Number: MFCD00009257 InChI Key: HYFLWBNQFMXCPA-UHFFFAOYSA-N Synonym: 2-ethyltoluene,o-ethyltoluene,o-methylethylbenzene,1-methyl-2-ethylbenzene,toluene, o-ethyl,ortho-ethyltoluene,benzene, 1-ethyl-2-methyl,1,2-methylethylbenzene,o-ethyl methylbenzene,o-ethyl methyl benzene PubChem CID: 11903 ChEBI: CHEBI:34276 IUPAC Name: 1-ethyl-2-methylbenzene SMILES: CCC1=CC=CC=C1C

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PubChem CID	11903
CAS	611-14-3
Molecular Weight (g/mol)	120.195
ChEBI	CHEBI:34276
MDL Number	MFCD00009257
SMILES	CCC1=CC=CC=C1C
Synonym	2-ethyltoluene,o-ethyltoluene,o-methylethylbenzene,1-methyl-2-ethylbenzene,toluene, o-ethyl,ortho-ethyltoluene,benzene, 1-ethyl-2-methyl,1,2-methylethylbenzene,o-ethyl methylbenzene,o-ethyl methyl benzene
IUPAC Name	1-ethyl-2-methylbenzene
InChI Key	HYFLWBNQFMXCPA-UHFFFAOYSA-N
Molecular Formula	C9H12

Mesitylene, 99%, Extra Pure

CAS: 108-67-8 Molecular Formula: C₉H₁₂ Molecular Weight (g/mol): 120.19 MDL Number: MFCD00008538 InChI Key: AUHZEENZYGFFBQ-UHFFFAOYSA-N Synonym: mesitylene,sym-trimethylbenzene,benzene, 1,3,5-trimethyl,fleet-x,trimethylbenzol,3,5-dimethyltoluene,s-trimethylbenzene,hsdb 92,2,4,6-trimethylbenzene,1,3,5-trimethyl-benzene PubChem CID: 7947 ChEBI: CHEBI:34833 IUPAC Name: 1,3,5-trimethylbenzene SMILES: CC1=CC(=CC(=C1)C)C

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PubChem CID	7947
CAS	108-67-8
Molecular Weight (g/mol)	120.19
ChEBI	CHEBI:34833
MDL Number	MFCD00008538
SMILES	CC1=CC(=CC(=C1)C)C
Synonym	mesitylene,sym-trimethylbenzene,benzene, 1,3,5-trimethyl,fleet-x,trimethylbenzol,3,5-dimethyltoluene,s-trimethylbenzene,hsdb 92,2,4,6-trimethylbenzene,1,3,5-trimethyl-benzene
IUPAC Name	1,3,5-trimethylbenzene
InChI Key	AUHZEENZYGFFBQ-UHFFFAOYSA-N
Molecular Formula	C₉H₁₂

n-Dodecylbenzene, 97%

CAS: 123-01-3 Molecular Formula: C18H30 Molecular Weight (g/mol): 246.438 MDL Number: MFCD00008974 InChI Key: KWKXNDCHNDYVRT-UHFFFAOYSA-N Synonym: 1-phenyldodecane,benzene, dodecyl,n-dodecylbenzene,laurylbenzene,phenyldodecane,marlican,dodecane, 1-phenyl,detergent alkylate,alkylate p 1,phenyldodecan PubChem CID: 31237 IUPAC Name: dodecylbenzene SMILES: CCCCCCCCCCCCC1=CC=CC=C1

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PubChem CID	31237
CAS	123-01-3
Molecular Weight (g/mol)	246.438
MDL Number	MFCD00008974
SMILES	CCCCCCCCCCCCC1=CC=CC=C1
Synonym	1-phenyldodecane,benzene, dodecyl,n-dodecylbenzene,laurylbenzene,phenyldodecane,marlican,dodecane, 1-phenyl,detergent alkylate,alkylate p 1,phenyldodecan
IUPAC Name	dodecylbenzene
InChI Key	KWKXNDCHNDYVRT-UHFFFAOYSA-N
Molecular Formula	C18H30

1,2,4,5-Tetramethylbenzene, 97+%

CAS: 95-93-2 Molecular Formula: C₁₀H₁₄ Molecular Weight (g/mol): 134.22 InChI Key: SQNZJJAZBFDUTD-UHFFFAOYSA-N Synonym: durene,durol,benzene, 1,2,4,5-tetramethyl,unii-181426cfyb,p-xylene, 2,5-dimethyl,dsstox_cid_9124,dsstox_rid_78675,dsstox_gsid_29124,duren PubChem CID: 7269 ChEBI: CHEBI:38978 IUPAC Name: 1,2,4,5-tetramethylbenzene SMILES: CC1=CC(=C(C=C1C)C)C

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PubChem CID	7269
CAS	95-93-2
Molecular Weight (g/mol)	134.22
ChEBI	CHEBI:38978
SMILES	CC1=CC(=C(C=C1C)C)C
Synonym	durene,durol,benzene, 1,2,4,5-tetramethyl,unii-181426cfyb,p-xylene, 2,5-dimethyl,dsstox_cid_9124,dsstox_rid_78675,dsstox_gsid_29124,duren
IUPAC Name	1,2,4,5-tetramethylbenzene
InChI Key	SQNZJJAZBFDUTD-UHFFFAOYSA-N
Molecular Formula	C₁₀H₁₄

Hexamethylbenzene, 98+%

CAS: 87-85-4 Molecular Formula: C₁₂H₁₈ Molecular Weight (g/mol): 162.27 MDL Number: MFCD00008523 InChI Key: YUWFEBAXEOLKSG-UHFFFAOYSA-N Synonym: hexamethylbenzene,mellitene,benzene, hexamethyl,hexamethylbenzol,hexamethyl benzene,unii-j8sd5741v8,1,2,3,4,5,6-hexamethyl-benzene,benzene, 1,2,3,4,5,6-hexamethyl,hexamethyl-benzene,hexamethylbenxene; PubChem CID: 6908 ChEBI: CHEBI:39001 IUPAC Name: 1,2,3,4,5,6-hexamethylbenzene SMILES: CC1=C(C(=C(C(=C1C)C)C)C)C

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Specifications

PubChem CID	6908
CAS	87-85-4
Molecular Weight (g/mol)	162.27
ChEBI	CHEBI:39001
MDL Number	MFCD00008523
SMILES	CC1=C(C(=C(C(=C1C)C)C)C)C
Synonym	hexamethylbenzene,mellitene,benzene, hexamethyl,hexamethylbenzol,hexamethyl benzene,unii-j8sd5741v8,1,2,3,4,5,6-hexamethyl-benzene,benzene, 1,2,3,4,5,6-hexamethyl,hexamethyl-benzene,hexamethylbenxene;
IUPAC Name	1,2,3,4,5,6-hexamethylbenzene
InChI Key	YUWFEBAXEOLKSG-UHFFFAOYSA-N
Molecular Formula	C₁₂H₁₈

4-Ethyltoluene, 97%

CAS: 622-96-8 Molecular Formula: C9H12 Molecular Weight (g/mol): 120.195 MDL Number: MFCD00009263 InChI Key: JRLPEMVDPFPYPJ-UHFFFAOYSA-N Synonym: 4-ethyltoluene,p-ethyltoluene,benzene, 1-ethyl-4-methyl,4-methylethylbenzene,toluene, p-ethyl,p-ethylmethylbenzene,p-methylethylbenzene,1-methyl-4-ethylbenzene,1-ethyl-4-methyl-benzene,para-ethyltoluene PubChem CID: 12160 IUPAC Name: 1-ethyl-4-methylbenzene SMILES: CCC1=CC=C(C=C1)C

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PubChem CID	12160
CAS	622-96-8
Molecular Weight (g/mol)	120.195
MDL Number	MFCD00009263
SMILES	CCC1=CC=C(C=C1)C
Synonym	4-ethyltoluene,p-ethyltoluene,benzene, 1-ethyl-4-methyl,4-methylethylbenzene,toluene, p-ethyl,p-ethylmethylbenzene,p-methylethylbenzene,1-methyl-4-ethylbenzene,1-ethyl-4-methyl-benzene,para-ethyltoluene
IUPAC Name	1-ethyl-4-methylbenzene
InChI Key	JRLPEMVDPFPYPJ-UHFFFAOYSA-N
Molecular Formula	C9H12

n-Butylbenzene, 99+%

CAS: 104-51-8 Molecular Formula: C10H14 Molecular Weight (g/mol): 134.22 MDL Number: MFCD00009463 InChI Key: OCKPCBLVNKHBMX-UHFFFAOYSA-N Synonym: n-butylbenzene,1-phenylbutane,benzene, butyl,1-butylbenzene,butyl-benzene,butane, phenyl,unii-s8xz2901rz,butylbenzene, analytical standard,n-butyl benzene,n4b PubChem CID: 7705 ChEBI: CHEBI:44194 IUPAC Name: butylbenzene SMILES: CCCCC1=CC=CC=C1

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PubChem CID	7705
CAS	104-51-8
Molecular Weight (g/mol)	134.22
ChEBI	CHEBI:44194
MDL Number	MFCD00009463
SMILES	CCCCC1=CC=CC=C1
Synonym	n-butylbenzene,1-phenylbutane,benzene, butyl,1-butylbenzene,butyl-benzene,butane, phenyl,unii-s8xz2901rz,butylbenzene, analytical standard,n-butyl benzene,n4b
IUPAC Name	butylbenzene
InChI Key	OCKPCBLVNKHBMX-UHFFFAOYSA-N
Molecular Formula	C10H14

1-Phenylcyclohexene, 96%

CAS: 771-98-2 Molecular Formula: C12H14 Molecular Weight (g/mol): 158.244 MDL Number: MFCD00001542 InChI Key: WCMSFBRREKZZFL-UHFFFAOYSA-N Synonym: 1-phenyl-1-cyclohexene,1-phenylcyclohexene,1-phenylcyclohex-1-ene,benzene, 1-cyclohexen-1-yl,phenylcyclohexene,cyclohexenylbenzene,benzene, cyclohexenyl,2,3,4,5-tetrahydro-1,1'-biphenyl,cyclohexene, 1-phenyl,trans-1-phenylcyclohexene PubChem CID: 13043 IUPAC Name: cyclohexen-1-ylbenzene SMILES: C1CCC(=CC1)C2=CC=CC=C2

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PubChem CID	13043
CAS	771-98-2
Molecular Weight (g/mol)	158.244
MDL Number	MFCD00001542
SMILES	C1CCC(=CC1)C2=CC=CC=C2
Synonym	1-phenyl-1-cyclohexene,1-phenylcyclohexene,1-phenylcyclohex-1-ene,benzene, 1-cyclohexen-1-yl,phenylcyclohexene,cyclohexenylbenzene,benzene, cyclohexenyl,2,3,4,5-tetrahydro-1,1'-biphenyl,cyclohexene, 1-phenyl,trans-1-phenylcyclohexene
IUPAC Name	cyclohexen-1-ylbenzene
InChI Key	WCMSFBRREKZZFL-UHFFFAOYSA-N
Molecular Formula	C12H14

1,3,5-Triphenylbenzene, 99+%

CAS: 612-71-5 Molecular Formula: C24H18 Molecular Weight (g/mol): 306.41 MDL Number: MFCD00003060 InChI Key: SXWIAEOZZQADEY-UHFFFAOYSA-N Synonym: triphenylbenzene,5'-phenyl-1,1':3',1-terphenyl,s-triphenylbenzene,m-terphenyl, 5'-phenyl,1,1':3',1-terphenyl, 5'-phenyl,5'-phenyl-m-terphenyl,benzene, 1,3,5-triphenyl,1,1'-biphenyl, 3,5-diphenyl,unii-408mso5wo3,3,5-diphenyl-1,1'-biphenyl PubChem CID: 11930 IUPAC Name: 1,3,5-triphenylbenzene SMILES: C1=CC=C(C=C1)C1=CC(=CC(=C1)C1=CC=CC=C1)C1=CC=CC=C1

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PubChem CID	11930
CAS	612-71-5
Molecular Weight (g/mol)	306.41
MDL Number	MFCD00003060
SMILES	C1=CC=C(C=C1)C1=CC(=CC(=C1)C1=CC=CC=C1)C1=CC=CC=C1
Synonym	triphenylbenzene,5'-phenyl-1,1':3',1-terphenyl,s-triphenylbenzene,m-terphenyl, 5'-phenyl,1,1':3',1-terphenyl, 5'-phenyl,5'-phenyl-m-terphenyl,benzene, 1,3,5-triphenyl,1,1'-biphenyl, 3,5-diphenyl,unii-408mso5wo3,3,5-diphenyl-1,1'-biphenyl
IUPAC Name	1,3,5-triphenylbenzene
InChI Key	SXWIAEOZZQADEY-UHFFFAOYSA-N
Molecular Formula	C24H18

3-Phenyltoluene, 95%

CAS: 643-93-6 Molecular Formula: C₁₃H₁₂ Molecular Weight (g/mol): 168.24 MDL Number: MFCD00008533 InChI Key: NPDIDUXTRAITDE-UHFFFAOYSA-N Synonym: 3-methylbiphenyl,3-phenyltoluene,3-methyl-1,1'biphenyl,1,1'-biphenyl, 3-methyl,3-methyl-1,1'-biphenyl,biphenyl, 3-methyl,unii-kfp6eo4j6p,kfp6eo4j6p,1-methyl-3-phenyl-benzene,3-methyl-biphenyl PubChem CID: 12564 IUPAC Name: 1-methyl-3-phenylbenzene SMILES: CC1=CC=CC(=C1)C2=CC=CC=C2

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PubChem CID	12564
CAS	643-93-6
Molecular Weight (g/mol)	168.24
MDL Number	MFCD00008533
SMILES	CC1=CC=CC(=C1)C2=CC=CC=C2
Synonym	3-methylbiphenyl,3-phenyltoluene,3-methyl-1,1'biphenyl,1,1'-biphenyl, 3-methyl,3-methyl-1,1'-biphenyl,biphenyl, 3-methyl,unii-kfp6eo4j6p,kfp6eo4j6p,1-methyl-3-phenyl-benzene,3-methyl-biphenyl
IUPAC Name	1-methyl-3-phenylbenzene
InChI Key	NPDIDUXTRAITDE-UHFFFAOYSA-N
Molecular Formula	C₁₃H₁₂

1,2,3,4-Tetramethylbenzene, 95%

CAS: 488-23-3 Molecular Formula: C10H14 Molecular Weight (g/mol): 134.222 MDL Number: MFCD00008521 InChI Key: UOHMMEJUHBCKEE-UHFFFAOYSA-N Synonym: prehnitene,prehnitol,benzene, 1,2,3,4-tetramethyl,tetramethylbenzene,unii-96wt7d2wxj,benzene, tetramethyl,96wt7d2wxj,ccris 8659,tetramethylbenzenes,tetra-methyl benzene PubChem CID: 10263 ChEBI: CHEBI:38997 IUPAC Name: 1,2,3,4-tetramethylbenzene SMILES: CC1=C(C(=C(C=C1)C)C)C

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Specifications

PubChem CID	10263
CAS	488-23-3
Molecular Weight (g/mol)	134.222
ChEBI	CHEBI:38997
MDL Number	MFCD00008521
SMILES	CC1=C(C(=C(C=C1)C)C)C
Synonym	prehnitene,prehnitol,benzene, 1,2,3,4-tetramethyl,tetramethylbenzene,unii-96wt7d2wxj,benzene, tetramethyl,96wt7d2wxj,ccris 8659,tetramethylbenzenes,tetra-methyl benzene
IUPAC Name	1,2,3,4-tetramethylbenzene
InChI Key	UOHMMEJUHBCKEE-UHFFFAOYSA-N
Molecular Formula	C10H14

n-Heptylbenzene, 98%

CAS: 1078-71-3 Molecular Formula: C13H20 Molecular Weight (g/mol): 176.303 MDL Number: MFCD00009545 InChI Key: LBNXAWYDQUGHGX-UHFFFAOYSA-N Synonym: 1-phenylheptane,benzene, heptyl,n-heptylbenzene,heptane, 1-phenyl,heptane, 1 or 7-phenyl,unii-12uc21c7sn,phenylheptane,heptyl-benzene,heptane, phenyl PubChem CID: 14115 IUPAC Name: heptylbenzene SMILES: CCCCCCCC1=CC=CC=C1

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PubChem CID	14115
CAS	1078-71-3
Molecular Weight (g/mol)	176.303
MDL Number	MFCD00009545
SMILES	CCCCCCCC1=CC=CC=C1
Synonym	1-phenylheptane,benzene, heptyl,n-heptylbenzene,heptane, 1-phenyl,heptane, 1 or 7-phenyl,unii-12uc21c7sn,phenylheptane,heptyl-benzene,heptane, phenyl
IUPAC Name	heptylbenzene
InChI Key	LBNXAWYDQUGHGX-UHFFFAOYSA-N
Molecular Formula	C13H20

Ethylbenzene, 99.8%, pure

CAS: 100-41-4 MDL Number: MFCD00011647 InChI Key: YNQLUTRBYVCPMQ-UHFFFAOYSA-N Synonym: phenylethane,ethylbenzol,benzene, ethyl,aethylbenzol,ethylenzene,ethyl benzene,ethylbenzeen,etilbenzene,etylobenzen,alpha-methyltoluene PubChem CID: 7500 ChEBI: CHEBI:16101 IUPAC Name: ethylbenzene SMILES: CCC1=CC=CC=C1

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Specifications

PubChem CID	7500
CAS	100-41-4
ChEBI	CHEBI:16101
MDL Number	MFCD00011647
SMILES	CCC1=CC=CC=C1
Synonym	phenylethane,ethylbenzol,benzene, ethyl,aethylbenzol,ethylenzene,ethyl benzene,ethylbenzeen,etilbenzene,etylobenzen,alpha-methyltoluene
IUPAC Name	ethylbenzene
InChI Key	YNQLUTRBYVCPMQ-UHFFFAOYSA-N

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