ASTM Method D5443 Hydrocarbon Test Mixture
Product Code
DRE-GA09000601
CAS Number
28 AnalytesProduct Format
Mixture
Product Categories
Dr. Ehrenstorfer, Hydrocarbon and Petrochemical Reference Materials
Documentation
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Product Information
Analyte Data
Analyte Name
Concentration
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
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IUPAC
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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
1,2,4-Trimethylcyclohexane
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H18
Molecular Weight
126.24
Accurate Mass
126.1409
SMILES
CC1CCC(C)C(C)C1
InChI
InChI=1S/C9H18/c1-7-4-5-8(2)9(3)6-7/h7-9H,4-6H2,1-3H3
IUPAC
1,2,4-trimethylcyclohexane
1,2-Dimethylcyclohexane
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C8 H16
Molecular Weight
112.21
Accurate Mass
112.1252
SMILES
CC1CCCCC1C
InChI
InChI=1S/C8H16/c1-7-5-3-4-6-8(7)2/h7-8H,3-6H2,1-2H3
IUPAC
1,2-dimethylcyclohexane
1-Hexene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H12
Molecular Weight
84.16
Accurate Mass
84.0939
SMILES
CCCCC=C
InChI
InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3
IUPAC
hex-1-ene
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
2,3-Dimethylbutane
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H14
Molecular Weight
86.18
Accurate Mass
86.1096
SMILES
CC(C)C(C)C
InChI
InChI=1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3
IUPAC
2,3-dimethylbutane
4-methyl-1-hexene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C7 H14
Molecular Weight
98.19
Accurate Mass
98.1096
SMILES
CCC(C)CC=C
InChI
InChI=1S/C7H14/c1-4-6-7(3)5-2/h4,7H,1,5-6H2,2-3H3
IUPAC
4-methylhex-1-ene
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
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
Cyclopentane
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C5 H10
Molecular Weight
70.13
Accurate Mass
70.0783
SMILES
C1CCCC1
InChI
InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2
IUPAC
cyclopentane
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
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-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-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-Pentane
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C5 H12
Molecular Weight
72.15
Accurate Mass
72.0939
SMILES
CCCCC
InChI
InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3
IUPAC
pentane
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-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
CC1=CC=CC=C1C
InChI
InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3
IUPAC
o-xylene
Pentamethylbenzene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C11 H16
Molecular Weight
148.24
Accurate Mass
148.1252
SMILES
Cc1cc(C)c(C)c(C)c1C
InChI
InChI=1S/C11H16/c1-7-6-8(2)10(4)11(5)9(7)3/h6H,1-5H3
IUPAC
1,2,3,4,5-pentamethylbenzene
Propylbenzene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H12
Molecular Weight
120.19
Accurate Mass
120.0939
SMILES
CCCc1ccccc1
InChI
InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3
IUPAC
propylbenzene
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
trans-Decahydronaphthalene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H18
Molecular Weight
138.25
Accurate Mass
138.1409
SMILES
C1CC[C@@H]2CCCC[C@H]2C1
InChI
InChI=1S/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2/t9-,10-
IUPAC
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
Product Data
Storage Temperature
+20°C
Shipping Temperature
Room Temperature
Country of Origin
UNITED STATES
Product Format
Mixture