VOC Mixture Kit 664 0.15-930 µg/mL in Triacetin
Product Code
DRE-K50000664TN
CAS Number
18 AnalytesProduct Format
Mixture
Solvent
Triacetin
Lot Number
2-G475766TN
Expiry
2027-02-15
Product Categories
Volatile Organic Compound Research and Reference Materials , Dr. Ehrenstorfer
Product Type
Native/ParentDocumentation
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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-Methoxy-2-propanol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C4 H10 O2
Molecular Weight
90.12
Accurate Mass
90.0681
SMILES
COCC(C)O
InChI
InChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3
IUPAC
1-methoxypropan-2-ol
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
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
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
Butyl Acetate
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H12 O2
Molecular Weight
116.16
Accurate Mass
116.0837
SMILES
CCCCOC(=O)C
InChI
InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3
IUPAC
butyl acetate
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
Cyclohexanone
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H10 O
Molecular Weight
98.14
Accurate Mass
98.0732
SMILES
O=C1CCCCC1
InChI
InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2
IUPAC
cyclohexanone
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
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
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
CC1=CC=CC=C1C
InChI
InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3
IUPAC
o-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
Propyl Acetate
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C5 H10 O2
Molecular Weight
102.13
Accurate Mass
102.0681
SMILES
CCCOC(=O)C
InChI
InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3
IUPAC
propyl acetate
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
Product Data
Storage Temperature
-18°C
Shipping Temperature
+20°C
Country of Origin
UNITED STATES
Product Format
Mixture
Solvent
Triacetin
