SVOC Mixture 231 100 µg/mL in Methanol
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- Product Name: SVOC Mixture 231 100 µg/mL in Methanol
- Product Code: DRE-A50000231ME
- Brand: Dr. Ehrenstorfer
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Product Information
Analyte Data
Analyte Name
Measured Value
CAS Number
Molecular Structure
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CAS Number
Alternate CAS Number
Unlabelled CAS Number
Molecular Formula
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Molecular Weight
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Accurate Mass
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Melting Point
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Appearance/Form
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SMILES
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InChI
{{ analyteItem.inchi[0].name }}
IUPAC
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2,3,4,5-Tetrachlorophenol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H2 Cl4 O
Molecular Weight
231.89
Accurate Mass
229.886
SMILES
Oc1cc(Cl)c(Cl)c(Cl)c1Cl
InChI
InChI=1S/C6H2Cl4O/c7-2-1-3(11)5(9)6(10)4(2)8/h1,11H
IUPAC
2,3,4,5-tetrachlorophenol
2,3,4,6-Tetrachlorophenol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H2 Cl4 O
Molecular Weight
231.89
Accurate Mass
229.886
SMILES
Oc1c(Cl)cc(Cl)c(Cl)c1Cl
InChI
InChI=1S/C6H2Cl4O/c7-2-1-3(8)6(11)5(10)4(2)9/h1,11H
IUPAC
2,3,4,6-tetrachlorophenol
2,3,4-Trichlorophenol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H3 Cl3 O
Molecular Weight
197.45
Accurate Mass
195.9249
SMILES
Oc1ccc(Cl)c(Cl)c1Cl
InChI
InChI=1S/C6H3Cl3O/c7-3-1-2-4(10)6(9)5(3)8/h1-2,10H
IUPAC
2,3,4-trichlorophenol
2,3,5,6-Tetrachlorophenol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H2 Cl4 O
Molecular Weight
231.89
Accurate Mass
229.886
SMILES
Oc1c(Cl)c(Cl)cc(Cl)c1Cl
InChI
InChI=1S/C6H2Cl4O/c7-2-1-3(8)5(10)6(11)4(2)9/h1,11H
IUPAC
2,3,5,6-tetrachlorophenol
2,3,5-Trichlorophenol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H3 Cl3 O
Molecular Weight
197.45
Accurate Mass
195.9249
SMILES
Oc1cc(Cl)cc(Cl)c1Cl
InChI
InChI=1S/C6H3Cl3O/c7-3-1-4(8)6(9)5(10)2-3/h1-2,10H
IUPAC
2,3,5-trichlorophenol
2,3,5-Trimethylphenol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H12 O
Molecular Weight
136.19
Accurate Mass
136.0888
SMILES
Cc1cc(C)c(C)c(O)c1
InChI
InChI=1S/C9H12O/c1-6-4-7(2)8(3)9(10)5-6/h4-5,10H,1-3H3
IUPAC
2,3,5-trimethylphenol
2,3,6-Trichlorophenol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H3 Cl3 O
Molecular Weight
197.45
Accurate Mass
195.9249
SMILES
Oc1c(Cl)ccc(Cl)c1Cl
InChI
InChI=1S/C6H3Cl3O/c7-3-1-2-4(8)6(10)5(3)9/h1-2,10H
IUPAC
2,3,6-trichlorophenol
2,3,6-Trimethylphenol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H12 O
Molecular Weight
136.19
Accurate Mass
136.0888
SMILES
Cc1ccc(C)c(O)c1C
InChI
InChI=1S/C9H12O/c1-6-4-5-7(2)9(10)8(6)3/h4-5,10H,1-3H3
IUPAC
2,3,6-trimethylphenol
2,3-Dichlorophenol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H4 Cl2 O
Molecular Weight
163.00
Accurate Mass
161.9639
SMILES
Oc1cccc(Cl)c1Cl
InChI
InChI=1S/C6H4Cl2O/c7-4-2-1-3-5(9)6(4)8/h1-3,9H
IUPAC
2,3-dichlorophenol
2,3-Dimethylphenol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C8 H10 O
Molecular Weight
122.16
Accurate Mass
122.0732
SMILES
Cc1cccc(O)c1C
InChI
InChI=1S/C8H10O/c1-6-4-3-5-8(9)7(6)2/h3-5,9H,1-2H3
IUPAC
2,3-dimethylphenol
2,4,5-Trichlorophenol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H3 Cl3 O
Molecular Weight
197.45
Accurate Mass
195.9249
SMILES
Oc1cc(Cl)c(Cl)cc1Cl
InChI
InChI=1S/C6H3Cl3O/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H
IUPAC
2,4,5-trichlorophenol
2,4,5-Trimethylphenol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H12 O
Molecular Weight
136.191
Accurate Mass
136.0888
SMILES
Cc1cc(C)c(O)cc1C
InChI
InChI=1S/C9H12O/c1-6-4-8(3)9(10)5-7(6)2/h4-5,10H,1-3H3
IUPAC
2,4,5-trimethylphenol
2,4,6-Trichlorophenol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H3 Cl3 O
Molecular Weight
197.45
Accurate Mass
195.9249
SMILES
Oc1c(Cl)cc(Cl)cc1Cl
InChI
InChI=1S/C6H3Cl3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H
IUPAC
2,4,6-trichlorophenol
2,4,6-Trimethylphenol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H12 O
Molecular Weight
136.19
Accurate Mass
136.0888
SMILES
Cc1cc(C)c(O)c(C)c1
InChI
InChI=1S/C9H12O/c1-6-4-7(2)9(10)8(3)5-6/h4-5,10H,1-3H3
IUPAC
2,4,6-trimethylphenol
2,4-Dichlorophenol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H4 Cl2 O
Molecular Weight
163.00
Accurate Mass
161.9639
SMILES
Oc1ccc(Cl)cc1Cl
InChI
InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H
IUPAC
2,4-dichlorophenol
2,4-Dimethylphenol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C8 H10 O
Molecular Weight
122.16
Accurate Mass
122.0732
SMILES
Cc1ccc(O)c(C)c1
InChI
InChI=1S/C8H10O/c1-6-3-4-8(9)7(2)5-6/h3-5,9H,1-2H3
IUPAC
2,4-dimethylphenol
2,5-Dichlorophenol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H4 Cl2 O
Molecular Weight
163.00
Accurate Mass
161.9639
SMILES
Oc1cc(Cl)ccc1Cl
InChI
InChI=1S/C6H4Cl2O/c7-4-1-2-5(8)6(9)3-4/h1-3,9H
IUPAC
2,5-dichlorophenol
2,5-Dimethylphenol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C8 H10 O
Molecular Weight
122.16
Accurate Mass
122.0732
SMILES
Cc1ccc(C)c(O)c1
InChI
InChI=1S/C8H10O/c1-6-3-4-7(2)8(9)5-6/h3-5,9H,1-2H3
IUPAC
2,5-dimethylphenol
2,6-Dichlorophenol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H4 Cl2 O
Molecular Weight
163.00
Accurate Mass
161.9639
SMILES
Oc1c(Cl)cccc1Cl
InChI
InChI=1S/C6H4Cl2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9H
IUPAC
2,6-dichlorophenol
2,6-Dimethylphenol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C8 H10 O
Molecular Weight
122.16
Accurate Mass
122.0732
SMILES
Cc1cccc(C)c1O
InChI
InChI=1S/C8H10O/c1-6-4-3-5-7(2)8(6)9/h3-5,9H,1-2H3
IUPAC
2,6-dimethylphenol
2-Chlorophenol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H5 Cl O
Molecular Weight
128.56
Accurate Mass
128.0029
SMILES
Oc1ccccc1Cl
InChI
InChI=1S/C6H5ClO/c7-5-3-1-2-4-6(5)8/h1-4,8H
IUPAC
2-chlorophenol
2-Ethylphenol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C8 H10 O
Molecular Weight
122.16
Accurate Mass
122.0732
SMILES
CCc1ccccc1O
InChI
InChI=1S/C8H10O/c1-2-7-5-3-4-6-8(7)9/h3-6,9H,2H2,1H3
IUPAC
2-ethylphenol
2-Methylphenol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C7 H8 O
Molecular Weight
108.14
Accurate Mass
108.0575
SMILES
Cc1ccccc1O
InChI
InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3
IUPAC
2-methylphenol
3,4,5-Trichlorophenol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H3 Cl3 O
Molecular Weight
197.45
Accurate Mass
195.9249
SMILES
Oc1cc(Cl)c(Cl)c(Cl)c1
InChI
InChI=1S/C6H3Cl3O/c7-4-1-3(10)2-5(8)6(4)9/h1-2,10H
IUPAC
3,4,5-trichlorophenol
3,4,5-Trimethylphenol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H12 O
Molecular Weight
136.19
Accurate Mass
136.0888
SMILES
Cc1cc(O)cc(C)c1C
InChI
InChI=1S/C9H12O/c1-6-4-9(10)5-7(2)8(6)3/h4-5,10H,1-3H3
IUPAC
3,4,5-trimethylphenol
3,4-Dichlorophenol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H4 Cl2 O
Molecular Weight
163.00
Accurate Mass
161.9639
SMILES
Oc1ccc(Cl)c(Cl)c1
InChI
InChI=1S/C6H4Cl2O/c7-5-2-1-4(9)3-6(5)8/h1-3,9H
IUPAC
3,4-dichlorophenol
3,4-Dimethylphenol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C8 H10 O
Molecular Weight
122.16
Accurate Mass
122.0732
SMILES
Cc1ccc(O)cc1C
InChI
InChI=1S/C8H10O/c1-6-3-4-8(9)5-7(6)2/h3-5,9H,1-2H3
IUPAC
3,4-dimethylphenol
3,5-Dichlorophenol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H4 Cl2 O
Molecular Weight
163.00
Accurate Mass
161.9639
SMILES
Oc1cc(Cl)cc(Cl)c1
InChI
InChI=1S/C6H4Cl2O/c7-4-1-5(8)3-6(9)2-4/h1-3,9H
IUPAC
3,5-dichlorophenol
3,5-Dimethylphenol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C8 H10 O
Molecular Weight
122.16
Accurate Mass
122.0732
SMILES
Cc1cc(C)cc(O)c1
InChI
InChI=1S/C8H10O/c1-6-3-7(2)5-8(9)4-6/h3-5,9H,1-2H3
IUPAC
3,5-dimethylphenol
3-Chlorophenol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H5 Cl O
Molecular Weight
128.56
Accurate Mass
128.0029
SMILES
Oc1cccc(Cl)c1
InChI
InChI=1S/C6H5ClO/c7-5-2-1-3-6(8)4-5/h1-4,8H
IUPAC
3-chlorophenol
3-Ethylphenol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C8 H10 O
Molecular Weight
122.16
Accurate Mass
122.0732
SMILES
CCc1cccc(O)c1
InChI
InChI=1S/C8H10O/c1-2-7-4-3-5-8(9)6-7/h3-6,9H,2H2,1H3
IUPAC
3-ethylphenol
3-Methylphenol (m-Cresol)
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C7 H8 O
Molecular Weight
108.14
Accurate Mass
108.0575
SMILES
Cc1cccc(O)c1
InChI
InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3
IUPAC
3-methylphenol
4-Chloro-2-methylphenol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C7 H7 Cl O
Molecular Weight
142.58
Accurate Mass
142.0185
SMILES
Cc1cc(Cl)ccc1O
InChI
InChI=1S/C7H7ClO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,1H3
IUPAC
4-chloro-2-methylphenol
4-Chloro-3-methylphenol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C7 H7 Cl O
Molecular Weight
142.58
Accurate Mass
142.0185
SMILES
Cc1cc(O)ccc1Cl
InChI
InChI=1S/C7H7ClO/c1-5-4-6(9)2-3-7(5)8/h2-4,9H,1H3
IUPAC
4-chloro-3-methylphenol
4-Chlorophenol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H5 Cl O
Molecular Weight
128.56
Accurate Mass
128.0029
SMILES
Oc1ccc(Cl)cc1
InChI
InChI=1S/C6H5ClO/c7-5-1-3-6(8)4-2-5/h1-4,8H
IUPAC
4-chlorophenol
4-Ethylphenol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C8 H10 O
Molecular Weight
122.16
Accurate Mass
122.0732
SMILES
CCc1ccc(O)cc1
InChI
InChI=1S/C8H10O/c1-2-7-3-5-8(9)6-4-7/h3-6,9H,2H2,1H3
IUPAC
4-ethylphenol
4-Methylphenol (p-Cresol)
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C7 H8 O
Molecular Weight
108.14
Accurate Mass
108.0575
SMILES
Cc1ccc(O)cc1
InChI
InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3
IUPAC
4-methylphenol
Pentachlorophenol
CAS Number
Alternate CAS Number
Unlabelled CAS Number
-
Molecular Formula
C6 H Cl5 O
Molecular Weight
266.34
Accurate Mass
263.847
SMILES
Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
InChI
InChI=1S/C6HCl5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H
IUPAC
2,3,4,5,6-pentachlorophenol
Phenol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H6 O
Molecular Weight
94.11
Accurate Mass
94.0419
SMILES
Oc1ccccc1
InChI
InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H
IUPAC
phenol
Product Data
Storage Temperature
-18°C
Shipping Temperature
Room Temperature
Country of Origin
UNITED STATES
Product Format
Mixture
Solvent
Methanol
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