SVOC Mixture 748 1000 µg/mL in Methanol
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- structure.search.product.name SVOC Mixture 748 1000 µg/mL in Methanol
- Product Code: DRE-A50000748ME
- Brand: Dr. Ehrenstorfer
Product Overview
Product Code
DRE-A50000748ME
CAS Number
48 AnalytesProduct Format
Mixture
Solvent
Methanol
Product Categories
Environmental Food Contaminant Reference Materials , Dr. Ehrenstorfer, Volatile Organic Compound Research and Reference Materials
Product Type
Native/ParentDocumentation
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Product Information
Analyte Data
Analyte Name
Measured Value
CAS Number
Molecular Structure
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Dichloromethane (Methylenechloride)
1000.0 μg/mL
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CAS Number
Alternate CAS Number
Unlabelled CAS Number
Molecular Formula
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Molecular Weight
{{ analyteItem.molecularWeight || '-' }}
Accurate Mass
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Melting Point
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Appearance/Form
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SMILES
{{ analyteItem.smiles[0].name }}
InChI
{{ analyteItem.inchi[0].name }}
IUPAC
{{ analyteItem.iupac }}
(+)-Limonene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H16
Molecular Weight
136.23
Accurate Mass
136.1252
SMILES
CC(=C)[C@@H]1CCC(=CC1)C
InChI
InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1
IUPAC
(4R)-1-methyl-4-prop-1-en-2-ylcyclohexene
(1S)-(-)-alpha-Pinene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H16
Molecular Weight
136.23
Accurate Mass
136.1252
SMILES
CC1=CC[C@H]2C[C@@H]1C2(C)C
InChI
InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9-/m0/s1
IUPAC
(1S,5S)-4,6,6-trimethylbicyclo[3.1.1]hept-3-ene
1,2,3-Trimethylbenzene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H12
Molecular Weight
120.19
Accurate Mass
120.0939
SMILES
Cc1cccc(C)c1C
InChI
InChI=1S/C9H12/c1-7-5-4-6-8(2)9(7)3/h4-6H,1-3H3
IUPAC
1,2,3-trimethylbenzene
1,2,4,5-Tetramethylbenzene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H14
Molecular Weight
134.22
Accurate Mass
134.1096
SMILES
Cc1cc(C)c(C)cc1C
InChI
InChI=1S/C10H14/c1-7-5-9(3)10(4)6-8(7)2/h5-6H,1-4H3
IUPAC
1,2,4,5-tetramethylbenzene
1,2,4-Trimethylbenzene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H12
Molecular Weight
120.19
Accurate Mass
120.0939
SMILES
Cc1ccc(C)c(C)c1
InChI
InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3
IUPAC
1,2,4-trimethylbenzene
1,2-Dichloroethane
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C2 H4 Cl2
Molecular Weight
98.96
Accurate Mass
97.969
SMILES
ClCCCl
InChI
InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2
IUPAC
1,2-dichloroethane
1,2-Dichloropropane
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C3 H6 Cl2
Molecular Weight
112.99
Accurate Mass
111.9847
SMILES
CC(Cl)CCl
InChI
InChI=1S/C3H6Cl2/c1-3(5)2-4/h3H,2H2,1H3
IUPAC
1,2-dichloropropane
1,3,5-Trimethylbenzene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H12
Molecular Weight
120.19
Accurate Mass
120.0939
SMILES
Cc1cc(C)cc(C)c1
InChI
InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3
IUPAC
1,3,5-trimethylbenzene
1,4-Dichlorobenzene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H4 Cl2
Molecular Weight
147.00
Accurate Mass
145.969
SMILES
Clc1ccc(Cl)cc1
InChI
InChI=1S/C6H4Cl2/c7-5-1-2-6(8)4-3-5/h1-4H
IUPAC
1,4-dichlorobenzene
1-Methyl-2-ethylbenzene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H12
Molecular Weight
120.1916
Accurate Mass
120.0939
SMILES
CCc1ccccc1C
InChI
InChI=1S/C9H12/c1-3-9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3
IUPAC
1-ethyl-2-methylbenzene
1-Propanol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C3 H8 O
Molecular Weight
60.10
Accurate Mass
60.0575
SMILES
CCCO
InChI
InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3
IUPAC
propan-1-ol
2,2,4-Trimethylpentane
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C8 H18
Molecular Weight
114.23
Accurate Mass
114.1409
SMILES
CC(C)CC(C)(C)C
InChI
InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3
IUPAC
2,2,4-trimethylpentane
2,4-Dimethylpentane
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C7 H16
Molecular Weight
100.20
Accurate Mass
100.1252
SMILES
CC(C)CC(C)C
InChI
InChI=1S/C7H16/c1-6(2)5-7(3)4/h6-7H,5H2,1-4H3
IUPAC
2,4-dimethylpentane
2-Butanone
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C4 H8 O
Molecular Weight
72.11
Accurate Mass
72.0575
SMILES
CCC(=O)C
InChI
InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3
IUPAC
butan-2-one
3-Ethyltoluene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H12
Molecular Weight
120.192
Accurate Mass
120.094
SMILES
CCc1cccc(C)c1
InChI
InChI=1S/C9H12/c1-3-9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3
IUPAC
1-ethyl-3-methylbenzene
4-Ethyltoluene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H12
Molecular Weight
120.19
Accurate Mass
120.0939
SMILES
CCc1ccc(C)cc1
InChI
InChI=1S/C9H12/c1-3-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3
IUPAC
1-ethyl-4-methylbenzene
4-Methyl-2-pentanone (MIBK)
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H12 O
Molecular Weight
100.16
Accurate Mass
100.0888
SMILES
CC(C)CC(=O)C
InChI
InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3
IUPAC
4-methylpentan-2-one
Acetone
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C3 H6 O
Molecular Weight
58.08
Accurate Mass
58.0419
SMILES
CC(=O)C
InChI
InChI=1S/C3H6O/c1-3(2)4/h1-2H3
IUPAC
propan-2-one
Benzene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H6
Molecular Weight
78.11
Accurate Mass
78.047
SMILES
c1ccccc1
InChI
InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H
IUPAC
benzene
beta-Pinene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H16
Molecular Weight
136.23
Accurate Mass
136.1252
SMILES
CC1(C)C2CCC(=C)C1C2
InChI
InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3
IUPAC
6,6-dimethyl-4-methylidenebicyclo[3.1.1]heptane
Bromodichloromethane
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C H Br Cl2
Molecular Weight
163.83
Accurate Mass
161.8639
SMILES
ClC(Cl)Br
InChI
InChI=1S/CHBrCl2/c2-1(3)4/h1H
IUPAC
bromo(dichloro)methane
Butyl Alcohol, n-butanol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C4 H10 O
Molecular Weight
74.12
Accurate Mass
74.0732
SMILES
CCCCO
InChI
InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3
IUPAC
butan-1-ol
Chloroform
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C H Cl3
Molecular Weight
119.38
Accurate Mass
117.9144
SMILES
ClC(Cl)Cl
InChI
InChI=1S/CHCl3/c2-1(3)4/h1H
IUPAC
chloroform
Decanal
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H20 O
Molecular Weight
156.27
Accurate Mass
156.1514
SMILES
CCCCCCCCCC=O
InChI
InChI=1S/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h10H,2-9H2,1H3
IUPAC
decanal
Dibromochloromethane
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C H Br2 Cl
Molecular Weight
208.28
Accurate Mass
205.8134
SMILES
ClC(Br)Br
InChI
InChI=1S/CHBr2Cl/c2-1(3)4/h1H
IUPAC
dibromo(chloro)methane
Dichloromethane (Methylenechloride)
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C H2 Cl2
Molecular Weight
84.93
Accurate Mass
83.9534
SMILES
ClCCl
InChI
InChI=1S/CH2Cl2/c2-1-3/h1H2
IUPAC
dichloromethane
Ethanol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C2 H6 O
Molecular Weight
46.07
Accurate Mass
46.0419
SMILES
CCO
InChI
InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
IUPAC
ethanol
Ethylbenzene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C8 H10
Molecular Weight
106.16
Accurate Mass
106.0783
SMILES
CCc1ccccc1
InChI
InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3
IUPAC
ethylbenzene
Isopropyl alcohol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C3 H8 O
Molecular Weight
60.10
Accurate Mass
60.0575
SMILES
CC(C)O
InChI
InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3
IUPAC
propan-2-ol
m-Xylene (1,3-Dimethylbenzene)
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C8 H10
Molecular Weight
106.16
Accurate Mass
106.0783
SMILES
Cc1cccc(C)c1
InChI
InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3
IUPAC
1,3-xylene
n-Decane
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H22
Molecular Weight
142.28
Accurate Mass
142.1722
SMILES
CCCCCCCCCC
InChI
InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3
IUPAC
decane
n-Dodecane
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H26
Molecular Weight
170.33
Accurate Mass
170.2035
SMILES
CCCCCCCCCCCC
InChI
InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3
IUPAC
dodecane
n-Heptane
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C7 H16
Molecular Weight
100.20
Accurate Mass
100.1252
SMILES
CCCCCCC
InChI
InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3
IUPAC
heptane
n-Hexadecane
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C16 H34
Molecular Weight
226.44
Accurate Mass
226.2661
SMILES
CCCCCCCCCCCCCCCC
InChI
InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3
IUPAC
hexadecane
n-Hexane
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H14
Molecular Weight
86.18
Accurate Mass
86.1096
SMILES
CCCCCC
InChI
InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3
IUPAC
hexane
n-Nonane
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H20
Molecular Weight
128.26
Accurate Mass
128.1565
SMILES
CCCCCCCCC
InChI
InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3
IUPAC
nonane
n-Octane
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C8 H18
Molecular Weight
114.23
Accurate Mass
114.1409
SMILES
CCCCCCCC
InChI
InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3
IUPAC
octane
n-Pentadecane
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C15 H32
Molecular Weight
212.41
Accurate Mass
212.2504
SMILES
CCCCCCCCCCCCCCC
InChI
InChI=1S/C15H32/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-15H2,1-2H3
IUPAC
pentadecane
n-Tetradecane
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C14 H30
Molecular Weight
198.39
Accurate Mass
198.2348
SMILES
CCCCCCCCCCCCCC
InChI
InChI=1S/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3
IUPAC
tetradecane
n-Tridecane
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C13 H28
Molecular Weight
184.36
Accurate Mass
184.2191
SMILES
CCCCCCCCCCCCC
InChI
InChI=1S/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H3
IUPAC
tridecane
n-Undecane
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C11 H24
Molecular Weight
156.31
Accurate Mass
156.1878
SMILES
CCCCCCCCCCC
InChI
InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3
IUPAC
undecane
o-Xylene (1,2-Dimethylbenzene)
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C8H10
Molecular Weight
106.16
Accurate Mass
106.08
SMILES
Cc1ccccc1C
InChI
InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3
IUPAC
1,2-xylene
p-Xylene (1,4-Dimethylbenzene)
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C8 H10
Molecular Weight
106.16
Accurate Mass
106.0783
SMILES
Cc1ccc(C)cc1
InChI
InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3
IUPAC
1,4-xylene
Pelargonaldehyde
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H18 O
Molecular Weight
142.24
Accurate Mass
142.1358
SMILES
CCCCCCCCC=O
InChI
InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h9H,2-8H2,1H3
IUPAC
nonanal
Styrene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C8 H8
Molecular Weight
104.15
Accurate Mass
104.0626
SMILES
C=Cc1ccccc1
InChI
InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2
IUPAC
styrene
Tetrachloroethene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C2 Cl4
Molecular Weight
165.83
Accurate Mass
163.8754
SMILES
ClC(=C(Cl)Cl)Cl
InChI
InChI=1S/C2Cl4/c3-1(4)2(5)6
IUPAC
1,1,2,2-tetrachloroethene
Toluene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C7 H8
Molecular Weight
92.14
Accurate Mass
92.0626
SMILES
Cc1ccccc1
InChI
InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3
IUPAC
toluene
Trichloroethene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C2 H Cl3
Molecular Weight
131.39
Accurate Mass
129.9144
SMILES
ClC=C(Cl)Cl
InChI
InChI=1S/C2HCl3/c3-1-2(4)5/h1H
IUPAC
1,1,2-trichloroethene
Product Data
Storage Temperature
-18°C
Shipping Temperature
-18°C
Country of Origin
UNITED STATES
Product Format
Mixture
Solvent
Methanol
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