VOC Mixture 243 2000-80000 µg/mL in Methanol, Second source
Product Code
DRE-A50000243ME
CAS Number
37 AnalytesProduct Format
Mixture
Solvent
Methanol
Lot Number
2-H490747ME
Expiry
2027-10-24
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- Product Name: VOC Mixture 243 2000-80000 µg/mL in Methanol, Second source
- Product Code: DRE-A50000243ME
- Brand: Dr. Ehrenstorfer
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Product Information
Analyte Data
Analyte Name
Measured Value
CAS Number
Molecular Structure
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1,1,2-Trichloro-1,2,2-trifluoroethane
2000.0 µg/mL
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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
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IUPAC
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1,1,2-Trichloro-1,2,2-trifluoroethane
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C2 Cl3 F3
Molecular Weight
187.38
Accurate Mass
185.9018
SMILES
FC(F)(Cl)C(F)(Cl)Cl
InChI
InChI=1S/C2Cl3F3/c3-1(4,6)2(5,7)8
IUPAC
1,1,2-trichloro-1,2,2-trifluoroethane
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
1,4-Dioxane
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C4 H8 O2
Molecular Weight
88.11
Accurate Mass
88.0524
SMILES
C1COCCO1
InChI
InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2
IUPAC
1,4-dioxane
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
3,3-Dimethyl-1-butanol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H14 O
Molecular Weight
102.17
Accurate Mass
102.1045
SMILES
CC(C)(C)CCO
InChI
InChI=1S/C6H14O/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3
IUPAC
3,3-dimethylbutan-1-ol
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
Acetic acid-isopropyl ester
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C5 H10 O2
Molecular Weight
102.13
Accurate Mass
102.0681
SMILES
CC(C)OC(=O)C
InChI
InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3
IUPAC
propan-2-yl acetate
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
Acetonitrile
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C2 H3 N
Molecular Weight
41.05
Accurate Mass
41.0265
SMILES
CC#N
InChI
InChI=1S/C2H3N/c1-2-3/h1H3
IUPAC
acetonitrile
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
Amyl Acetate
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C7 H14 O2
Molecular Weight
130.18
Accurate Mass
130.0994
SMILES
CCCCCOC(=O)C
InChI
InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3
IUPAC
pentyl acetate
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
Chloroprene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C4 H5 Cl
Molecular Weight
88.54
Accurate Mass
88.008
SMILES
ClC(=C)C=C
InChI
InChI=1S/C4H5Cl/c1-3-4(2)5/h3H,1-2H2
IUPAC
2-chlorobuta-1,3-diene
cis-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
(Z)-1,4-dichlorobut-2-ene
Cyclohexane
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H12
Molecular Weight
84.16
Accurate Mass
84.0939
SMILES
C1CCCCC1
InChI
InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2
IUPAC
cyclohexane
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
Diisopropyl ether
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H14 O
Molecular Weight
102.17
Accurate Mass
102.1045
SMILES
CC(C)OC(C)C
InChI
InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3
IUPAC
2-propan-2-yloxypropane
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
Ethyl acetate
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C4 H8 O2
Molecular Weight
88.11
Accurate Mass
88.0524
SMILES
CCOC(=O)C
InChI
InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3
IUPAC
ethyl acetate
Ethyl tert-Butyl Ether (ETBE)
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H14 O
Molecular Weight
102.17
Accurate Mass
102.1045
SMILES
CCOC(C)(C)C
InChI
InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3
IUPAC
2-ethoxy-2-methylpropane
Formic acid-tert-butyl ester
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C5 H10 O2
Molecular Weight
102.13
Accurate Mass
102.0681
SMILES
CC(C)(C)OC=O
InChI
InChI=1S/C5H10O2/c1-5(2,3)7-4-6/h4H,1-3H3
IUPAC
tert-butyl formate
Isobutanol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C4 H10 O
Molecular Weight
74.12
Accurate Mass
74.0732
SMILES
CC(C)CO
InChI
InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3
IUPAC
2-methylpropan-1-ol
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 Acetate
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C3 H6 O2
Molecular Weight
74.08
Accurate Mass
74.0368
SMILES
COC(=O)C
InChI
InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3
IUPAC
methyl acetate
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
Methylcyclohexane
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C7 H14
Molecular Weight
98.19
Accurate Mass
98.1096
SMILES
CC1CCCCC1
InChI
InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3
IUPAC
methylcyclohexane
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
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
tert-Amyl Alcohol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C5 H12 O
Molecular Weight
88.15
Accurate Mass
88.0888
SMILES
CCC(C)(C)O
InChI
InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3
IUPAC
2-methylbutan-2-ol
tert-Amyl Methyl Ether (TAME)
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H14 O
Molecular Weight
102.17
Accurate Mass
102.1045
SMILES
CCC(C)(C)OC
InChI
InChI=1S/C6H14O/c1-5-6(2,3)7-4/h5H2,1-4H3
IUPAC
2-methoxy-2-methylbutane
tert.-Butanol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C4 H10 O
Molecular Weight
74.12
Accurate Mass
74.0732
SMILES
CC(C)(C)O
InChI
InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3
IUPAC
2-methylpropan-2-ol
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
-18°C
Shipping Temperature
Ice pack (-20°C)
Country of Origin
UNITED STATES
Product Format
Mixture
Solvent
Methanol
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