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Benzene and substituted derivatives

Benzene is an aromatic organic molecule composed of six carbon atoms and six hydrogen atoms that form a ring. Includes substituted derivative compounds.
Benzoic acid esters (36)
Benzoyl derivatives (36)
Phenylpropanes (24)
Benzyl Derivatives (14)
Phenoxy compounds (12)
Methoxybenzenes (10)
Phenylhydrazines (10)
Benzenesulfonic acids and derivatives (9)
Phenoxides (9)
Diphenylmethanes (6)
Phenylphosphines and derivatives (6)
Phenylpyruvic acid derivatives (6)
Anilides (5)
Sulfanylbenzoic acids and derivatives (5)
Aminotoluenes (4)
Hydroxybenzoic Acid Derivatives (4)
Benzophenones (3)
Diphenylethers (3)

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1 – 15 of 52 results
1

2,4-Dinitrophenylhydrazine, Spectrum™ Chemical

CAS: 119-26-6 Molecular Formula: C6H6N4O4 Molecular Weight (g/mol): 198.14 InChI Key: HORQAOAYAYGIBM-UHFFFAOYSA-N IUPAC Name: (2,4-dinitrophenyl)hydrazine SMILES: NNC1=CC=C(C=C1[N+]([O-])=O)[N+]([O-])=O

CAS 119-26-6
Molecular Weight (g/mol) 198.14
SMILES NNC1=CC=C(C=C1[N+]([O-])=O)[N+]([O-])=O
IUPAC Name (2,4-dinitrophenyl)hydrazine
InChI Key HORQAOAYAYGIBM-UHFFFAOYSA-N
Molecular Formula C6H6N4O4
2

Benzethonium Chloride, USP, 97-103%, Spectrum™ Chemical

CAS: 121-54-0 Molecular Formula: C27H42ClNO2 Molecular Weight (g/mol): 448.09 InChI Key: UREZNYTWGJKWBI-UHFFFAOYSA-M IUPAC Name: benzyldimethyl(2-{2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy}ethyl)azanium chloride SMILES: [Cl-].CC(C)(C)CC(C)(C)C1=CC=C(OCCOCC[N+](C)(C)CC2=CC=CC=C2)C=C1

CAS 121-54-0
Molecular Weight (g/mol) 448.09
SMILES [Cl-].CC(C)(C)CC(C)(C)C1=CC=C(OCCOCC[N+](C)(C)CC2=CC=CC=C2)C=C1
IUPAC Name benzyldimethyl(2-{2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy}ethyl)azanium chloride
InChI Key UREZNYTWGJKWBI-UHFFFAOYSA-M
Molecular Formula C27H42ClNO2
3

BHT, Granular, FCC, 99%, Spectrum™ Chemical

CAS: 128-37-0 Molecular Formula: C15H24O Molecular Weight (g/mol): 220.36 InChI Key: NLZUEZXRPGMBCV-UHFFFAOYSA-N IUPAC Name: 2,6-di-tert-butyl-4-methylphenol SMILES: CC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C

CAS 128-37-0
Molecular Weight (g/mol) 220.36
SMILES CC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C
IUPAC Name 2,6-di-tert-butyl-4-methylphenol
InChI Key NLZUEZXRPGMBCV-UHFFFAOYSA-N
Molecular Formula C15H24O
4

Butylated Hydroxytoluene, Granular, NF, 99-101.5%, Spectrum™ Chemical

CAS: 128-37-0 Molecular Formula: C15H24O Molecular Weight (g/mol): 220.36 InChI Key: NLZUEZXRPGMBCV-UHFFFAOYSA-N IUPAC Name: 2,6-di-tert-butyl-4-methylphenol SMILES: CC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C

CAS 128-37-0
Molecular Weight (g/mol) 220.36
SMILES CC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C
IUPAC Name 2,6-di-tert-butyl-4-methylphenol
InChI Key NLZUEZXRPGMBCV-UHFFFAOYSA-N
Molecular Formula C15H24O
5

Benzyl Alcohol, NF, 98-100.5%, Spectrum™ Chemical

CAS: 100-51-6 Molecular Formula: C7H8O Molecular Weight (g/mol): 108.14 MDL Number: MFCD00004599,MFCD03792087 InChI Key: WVDDGKGOMKODPV-UHFFFAOYSA-N IUPAC Name: phenylmethanol SMILES: OCC1=CC=CC=C1

CAS 100-51-6
Molecular Weight (g/mol) 108.14
MDL Number MFCD00004599,MFCD03792087
SMILES OCC1=CC=CC=C1
IUPAC Name phenylmethanol
InChI Key WVDDGKGOMKODPV-UHFFFAOYSA-N
Molecular Formula C7H8O
6

Benzyl Benzoate, USP, 99-100.5%, Spectrum™ Chemical

CAS: 120-51-4 Molecular Formula: C14H12O2 Molecular Weight (g/mol): 212.25 MDL Number: MFCD00003075 InChI Key: SESFRYSPDFLNCH-UHFFFAOYSA-N IUPAC Name: benzyl benzoate SMILES: O=C(OCC1=CC=CC=C1)C1=CC=CC=C1

CAS 120-51-4
Molecular Weight (g/mol) 212.25
MDL Number MFCD00003075
SMILES O=C(OCC1=CC=CC=C1)C1=CC=CC=C1
IUPAC Name benzyl benzoate
InChI Key SESFRYSPDFLNCH-UHFFFAOYSA-N
Molecular Formula C14H12O2
7

Butylparaben, NF, 98-102%, Spectrum™ Chemical

CAS: 94-26-8 Molecular Formula: C11H14O3 Molecular Weight (g/mol): 194.23 InChI Key: QFOHBWFCKVYLES-UHFFFAOYSA-N IUPAC Name: butyl 4-hydroxybenzoate SMILES: CCCCOC(=O)C1=CC=C(O)C=C1

CAS 94-26-8
Molecular Weight (g/mol) 194.23
SMILES CCCCOC(=O)C1=CC=C(O)C=C1
IUPAC Name butyl 4-hydroxybenzoate
InChI Key QFOHBWFCKVYLES-UHFFFAOYSA-N
Molecular Formula C11H14O3
8

Capsaicin, USP, Spectrum™ Chemical

CAS: 404-86-4 Molecular Formula: C18H27NO3 Molecular Weight (g/mol): 305.42 InChI Key: YKPUWZUDDOIDPM-SOFGYWHQSA-N IUPAC Name: (6E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide SMILES: COC1=CC(CNC(=O)CCCC\C=C\C(C)C)=CC=C1O

CAS 404-86-4
Molecular Weight (g/mol) 305.42
SMILES COC1=CC(CNC(=O)CCCC\C=C\C(C)C)=CC=C1O
IUPAC Name (6E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide
InChI Key YKPUWZUDDOIDPM-SOFGYWHQSA-N
Molecular Formula C18H27NO3
9

Diethyl Phthalate, NF, 98-102%, Spectrum™ Chemical

CAS: 84-66-2 Molecular Formula: C12H14O4 Molecular Weight (g/mol): 222.24 InChI Key: FLKPEMZONWLCSK-UHFFFAOYSA-N IUPAC Name: 1,2-diethyl benzene-1,2-dicarboxylate SMILES: CCOC(=O)C1=CC=CC=C1C(=O)OCC

CAS 84-66-2
Molecular Weight (g/mol) 222.24
SMILES CCOC(=O)C1=CC=CC=C1C(=O)OCC
IUPAC Name 1,2-diethyl benzene-1,2-dicarboxylate
InChI Key FLKPEMZONWLCSK-UHFFFAOYSA-N
Molecular Formula C12H14O4
10

Ethylparaben, NF, 98-102%, Spectrum™ Chemical

CAS: 120-47-8 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 InChI Key: NUVBSKCKDOMJSU-UHFFFAOYSA-N IUPAC Name: ethyl 4-hydroxybenzoate SMILES: CCOC(=O)C1=CC=C(O)C=C1

CAS 120-47-8
Molecular Weight (g/mol) 166.18
SMILES CCOC(=O)C1=CC=C(O)C=C1
IUPAC Name ethyl 4-hydroxybenzoate
InChI Key NUVBSKCKDOMJSU-UHFFFAOYSA-N
Molecular Formula C9H10O3
11

Eugenol, USP, Spectrum™ Chemical

CAS: 97-53-0 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.20 MDL Number: MFCD00008654 InChI Key: RRAFCDWBNXTKKO-UHFFFAOYSA-N IUPAC Name: 2-methoxy-4-(prop-2-en-1-yl)phenol SMILES: COC1=CC(CC=C)=CC=C1O

CAS 97-53-0
Molecular Weight (g/mol) 164.20
MDL Number MFCD00008654
SMILES COC1=CC(CC=C)=CC=C1O
IUPAC Name 2-methoxy-4-(prop-2-en-1-yl)phenol
InChI Key RRAFCDWBNXTKKO-UHFFFAOYSA-N
Molecular Formula C10H12O2
12

Methyl Salicylate, FCC, 98%, Spectrum™ Chemical

CAS: 119-36-8 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 InChI Key: OSWPMRLSEDHDFF-UHFFFAOYSA-N IUPAC Name: methyl 2-hydroxybenzoate SMILES: COC(=O)C1=CC=CC=C1O

CAS 119-36-8
Molecular Weight (g/mol) 152.15
SMILES COC(=O)C1=CC=CC=C1O
IUPAC Name methyl 2-hydroxybenzoate
InChI Key OSWPMRLSEDHDFF-UHFFFAOYSA-N
Molecular Formula C8H8O3
13

Methyl Salicylate, NF, 98-102%, Spectrum™ Chemical

CAS: 119-36-8 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 InChI Key: OSWPMRLSEDHDFF-UHFFFAOYSA-N IUPAC Name: methyl 2-hydroxybenzoate SMILES: COC(=O)C1=CC=CC=C1O

CAS 119-36-8
Molecular Weight (g/mol) 152.15
SMILES COC(=O)C1=CC=CC=C1O
IUPAC Name methyl 2-hydroxybenzoate
InChI Key OSWPMRLSEDHDFF-UHFFFAOYSA-N
Molecular Formula C8H8O3
14

Methylparaben Sodium, NF, 95-102%, Spectrum™ Chemical

CAS: 5026-62-0 Molecular Formula: C8H7NaO3 Molecular Weight (g/mol): 174.13 InChI Key: PESXGULMKCKJCC-UHFFFAOYSA-M IUPAC Name: sodium 4-(methoxycarbonyl)benzen-1-olate SMILES: [Na+].COC(=O)C1=CC=C([O-])C=C1

CAS 5026-62-0
Molecular Weight (g/mol) 174.13
SMILES [Na+].COC(=O)C1=CC=C([O-])C=C1
IUPAC Name sodium 4-(methoxycarbonyl)benzen-1-olate
InChI Key PESXGULMKCKJCC-UHFFFAOYSA-M
Molecular Formula C8H7NaO3
15

Octocrylene, 95%, Spectrum™ Chemical

CAS: 6197-30-4 Molecular Formula: C24H27NO2 Molecular Weight (g/mol): 361.49 MDL Number: MFCD00059260 InChI Key: FMJSMJQBSVNSBF-UHFFFAOYNA-N IUPAC Name: 2-ethylhexyl 2-cyano-3,3-diphenylprop-2-enoate SMILES: CCCCC(CC)COC(=O)C(C#N)=C(C1=CC=CC=C1)C1=CC=CC=C1

CAS 6197-30-4
Molecular Weight (g/mol) 361.49
MDL Number MFCD00059260
SMILES CCCCC(CC)COC(=O)C(C#N)=C(C1=CC=CC=C1)C1=CC=CC=C1
IUPAC Name 2-ethylhexyl 2-cyano-3,3-diphenylprop-2-enoate
InChI Key FMJSMJQBSVNSBF-UHFFFAOYNA-N
Molecular Formula C24H27NO2