Benzene and substituted derivatives
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Acetone, Electronic/Cleanroom Grade, 99.5%, Spectrum™ Chemical
CAS: 67-64-1 Molecular Formula: C3H6O Molecular Weight (g/mol): 58.08 MDL Number: MFCD00008765 InChI Key: CSCPPACGZOOCGX-UHFFFAOYSA-N IUPAC Name: propan-2-one SMILES: CC(C)=O
| CAS | 67-64-1 |
|---|---|
| Molecular Weight (g/mol) | 58.08 |
| MDL Number | MFCD00008765 |
| SMILES | CC(C)=O |
| IUPAC Name | propan-2-one |
| InChI Key | CSCPPACGZOOCGX-UHFFFAOYSA-N |
| Molecular Formula | C3H6O |
Hydrous Benzoyl Peroxide, USP, 70-80%, Spectrum™ Chemical
CAS: 94-36-0 Molecular Formula: C14H10O4 Molecular Weight (g/mol): 242.23 InChI Key: OMPJBNCRMGITSC-UHFFFAOYSA-N IUPAC Name: benzoyl benzenecarboperoxoate SMILES: O=C(OOC(=O)C1=CC=CC=C1)C1=CC=CC=C1
| CAS | 94-36-0 |
|---|---|
| Molecular Weight (g/mol) | 242.23 |
| SMILES | O=C(OOC(=O)C1=CC=CC=C1)C1=CC=CC=C1 |
| IUPAC Name | benzoyl benzenecarboperoxoate |
| InChI Key | OMPJBNCRMGITSC-UHFFFAOYSA-N |
| Molecular Formula | C14H10O4 |
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 |
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 |
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 |
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 |
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 |
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 |
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 |
Cumene Hydroperoxide, 77%, Spectrum™ Chemical
CAS: 80-15-9 Molecular Formula: C9H12O2 Molecular Weight (g/mol): 152.19 MDL Number: MFCD00002129 InChI Key: YQHLDYVWEZKEOX-UHFFFAOYSA-N IUPAC Name: 2-phenylpropane-2-peroxol SMILES: CC(C)(OO)C1=CC=CC=C1
| CAS | 80-15-9 |
|---|---|
| Molecular Weight (g/mol) | 152.19 |
| MDL Number | MFCD00002129 |
| SMILES | CC(C)(OO)C1=CC=CC=C1 |
| IUPAC Name | 2-phenylpropane-2-peroxol |
| InChI Key | YQHLDYVWEZKEOX-UHFFFAOYSA-N |
| Molecular Formula | C9H12O2 |
Octisalate, USP, 95-105%, Spectrum™ Chemical
CAS: 118-60-5 Molecular Formula: C15H22O3 Molecular Weight (g/mol): 250.34 InChI Key: FMRHJJZUHUTGKE-UHFFFAOYNA-N IUPAC Name: 2-ethylhexyl 2-hydroxybenzoate SMILES: CCCCC(CC)COC(=O)C1=CC=CC=C1O
| CAS | 118-60-5 |
|---|---|
| Molecular Weight (g/mol) | 250.34 |
| SMILES | CCCCC(CC)COC(=O)C1=CC=CC=C1O |
| IUPAC Name | 2-ethylhexyl 2-hydroxybenzoate |
| InChI Key | FMRHJJZUHUTGKE-UHFFFAOYNA-N |
| Molecular Formula | C15H22O3 |
Phenoxybenzamine Hydrochloride, USP, 98-101%, Spectrum™ Chemical
CAS: 63-92-3 Molecular Formula: C18H23Cl2NO Molecular Weight (g/mol): 340.29 InChI Key: VBCPVIWPDJVHAN-UHFFFAOYNA-N IUPAC Name: hydrogen benzyl(2-chloroethyl)(1-phenoxypropan-2-yl)amine chloride SMILES: [H+].[Cl-].CC(COC1=CC=CC=C1)N(CCCl)CC1=CC=CC=C1
| CAS | 63-92-3 |
|---|---|
| Molecular Weight (g/mol) | 340.29 |
| SMILES | [H+].[Cl-].CC(COC1=CC=CC=C1)N(CCCl)CC1=CC=CC=C1 |
| IUPAC Name | hydrogen benzyl(2-chloroethyl)(1-phenoxypropan-2-yl)amine chloride |
| InChI Key | VBCPVIWPDJVHAN-UHFFFAOYNA-N |
| Molecular Formula | C18H23Cl2NO |
Propylene Phenoxytol, Reagent, Spectrum™ Chemical
CAS: 770-35-4 Molecular Formula: C9H12O2 Molecular Weight (g/mol): 152.19 MDL Number: MFCD00016861 InChI Key: IBLKWZIFZMJLFL-UHFFFAOYNA-N IUPAC Name: 1-phenoxypropan-2-ol SMILES: CC(O)COC1=CC=CC=C1
| CAS | 770-35-4 |
|---|---|
| Molecular Weight (g/mol) | 152.19 |
| MDL Number | MFCD00016861 |
| SMILES | CC(O)COC1=CC=CC=C1 |
| IUPAC Name | 1-phenoxypropan-2-ol |
| InChI Key | IBLKWZIFZMJLFL-UHFFFAOYNA-N |
| Molecular Formula | C9H12O2 |
| CAS | 99-76-3 |
|---|
| CAS | 538-86-3 |
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