VOC Mixture 905 2000 µg/mL in Methanol
Product Code
DRE-GA09000905ME
CAS Number
24 AnalytesProduct Format
Mixture
Solvent
Methanol
Product Categories
Dr. Ehrenstorfer, Volatile Organic Compound Research and Reference Materials
Documentation
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Product Information
Analyte Data
Analyte Name
Concentration
CAS Number
Molecular Structure
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Molecular Formula
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Molecular Weight
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Melting Point
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SMILES
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InChI
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IUPAC
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1,1-Dichloropropanone-2
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C3 H4 Cl2 O
Molecular Weight
126.97
Accurate Mass
125.9639
SMILES
CC(=O)C(Cl)Cl
InChI
InChI=1S/C3H4Cl2O/c1-2(6)3(4)5/h3H,1H3
IUPAC
1,1-dichloropropan-2-one
1-Chlorobutane
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C4 H9 Cl
Molecular Weight
92.57
Accurate Mass
92.0393
SMILES
CCCCCl
InChI
InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3
IUPAC
1-chlorobutane
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
2-Hexanone
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H12 O
Molecular Weight
100.16
Accurate Mass
100.0888
SMILES
CCCCC(=O)C
InChI
InChI=1S/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3
IUPAC
hexan-2-one
2-Nitropropane
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C3 H7 N O2
Molecular Weight
89.09
Accurate Mass
89.0477
SMILES
CC(C)[N+](=O)[O-]
InChI
InChI=1S/C3H7NO2/c1-3(2)4(5)6/h3H,1-2H3
IUPAC
2-nitropropane
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
Acrylic acid methyl ester
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C4 H6 O2
Molecular Weight
86.09
Accurate Mass
86.0368
SMILES
COC(=O)C=C
InChI
InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3
IUPAC
methyl prop-2-enoate
Acrylonitrile
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C3 H3 N
Molecular Weight
53.06
Accurate Mass
53.0265
SMILES
C=CC#N
InChI
InChI=1S/C3H3N/c1-2-3-4/h2H,1H2
IUPAC
prop-2-enenitrile
Allylchloride
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C3 H5 Cl
Molecular Weight
76.52
Accurate Mass
76.008
SMILES
ClCC=C
InChI
InChI=1S/C3H5Cl/c1-2-3-4/h2H,1,3H2
IUPAC
3-chloroprop-1-ene
Carbon disulfide
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C S2
Molecular Weight
76.14
Accurate Mass
75.9441
SMILES
S=C=S
InChI
InChI=1S/CS2/c2-1-3
IUPAC
methanedithione
Chloroacetonitrile
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C2 H2 Cl N
Molecular Weight
75.50
Accurate Mass
74.9876
SMILES
ClCC#N
InChI
InChI=1S/C2H2ClN/c3-1-2-4/h1H2
IUPAC
2-chloroacetonitrile
Diethylether
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C4 H10 O
Molecular Weight
74.12
Accurate Mass
74.0732
SMILES
CCOCC
InChI
InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3
IUPAC
ethoxyethane
Hexachloroethane
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C2 Cl6
Molecular Weight
236.74
Accurate Mass
233.8131
SMILES
ClC(Cl)(Cl)C(Cl)(Cl)Cl
InChI
InChI=1S/C2Cl6/c3-1(4,5)2(6,7)8
IUPAC
1,1,1,2,2,2-hexachloroethane
Methacrylic acid-ethyl ester
CAS Number
Alternate CAS Number
Unlabelled CAS Number
-
Molecular Formula
C6 H10 O2
Molecular Weight
114.14
Accurate Mass
114.0681
SMILES
CCOC(=O)C(=C)C
InChI
InChI=1S/C6H10O2/c1-4-8-6(7)5(2)3/h2,4H2,1,3H3
IUPAC
ethyl 2-methylprop-2-enoate
Methacrylic acid-methyl ester
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C5 H8 O2
Molecular Weight
100.12
Accurate Mass
100.0524
SMILES
COC(=O)C(=C)C
InChI
InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3
IUPAC
methyl 2-methylprop-2-enoate
Methacrylonitrile
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C4 H5 N
Molecular Weight
67.09
Accurate Mass
67.0422
SMILES
CC(=C)C#N
InChI
InChI=1S/C4H5N/c1-4(2)3-5/h1H2,2H3
IUPAC
2-methylprop-2-enenitrile
Methyl iodide
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C H3 I
Molecular Weight
141.94
Accurate Mass
141.9279
SMILES
CI
InChI
InChI=1S/CH3I/c1-2/h1H3
IUPAC
iodomethane
Methyl tert-butyl ether
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C5 H12 O
Molecular Weight
88.15
Accurate Mass
88.0888
SMILES
COC(C)(C)C
InChI
InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3
IUPAC
2-methoxy-2-methylpropane
Nitrobenzene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H5 N O2
Molecular Weight
123.11
Accurate Mass
123.032
SMILES
[O-][N+](=O)c1ccccc1
InChI
InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H
IUPAC
nitrobenzene
Pentachloroethane
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C2 H Cl5
Molecular Weight
202.29
Accurate Mass
199.8521
SMILES
ClC(Cl)C(Cl)(Cl)Cl
InChI
InChI=1S/C2HCl5/c3-1(4)2(5,6)7/h1H
IUPAC
1,1,1,2,2-pentachloroethane
Propionitrile
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C3 H5 N
Molecular Weight
55.08
Accurate Mass
55.0422
SMILES
CCC#N
InChI
InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3
IUPAC
propanenitrile
Tetrahydrofuran
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C4 H8 O
Molecular Weight
72.11
Accurate Mass
72.0575
SMILES
C1CCOC1
InChI
InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2
IUPAC
oxolane
trans-1,4-Dichloro-2-butene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C4 H6 Cl2
Molecular Weight
125.00
Accurate Mass
123.9847
SMILES
ClC\C=C\CCl
InChI
InChI=1S/C4H6Cl2/c5-3-1-2-4-6/h1-2H,3-4H2/b2-1+
IUPAC
(E)-1,4-dichlorobut-2-ene
Product Data
Storage Temperature
+4°C
Shipping Temperature
Room Temperature
Country of Origin
UNITED STATES
Product Format
Mixture
Solvent
Methanol
