ASTM Method D5769 Quality Control Reference Material with 3 IS in Isooctane
Product Code
DRE-GA09000132IO
CAS Number
17 AnalytesProduct Format
Mixture
Solvent
Isooctane
Lot Number
2-H446752NA
Expiry
2025-10-08
Product Categories
Dr. Ehrenstorfer, Hydrocarbon standards for GC analysis, Hydrocarbon and Petrochemical Reference Materials
Product Type
Stable Isotope LabelledPrice and availability
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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1,2,4,5-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
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
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
Benzene-D6
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
Molecular Formula
C6 2H6
Molecular Weight
84.15
Accurate Mass
84.0846
SMILES
[2H]c1c([2H])c([2H])c([2H])c([2H])c1[2H]
InChI
InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H/i1D,2D,3D,4D,5D,6D
IUPAC
1,2,3,4,5,6-hexadeuteriobenzene
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
Ethylbenzene-d10
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C8 2H10
Molecular Weight
116.23
Accurate Mass
116.141
SMILES
[2H]c1c([2H])c([2H])c(c([2H])c1[2H])C([2H])([2H])C([2H])([2H])[2H]
InChI
InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3/i1D3,2D2,3D,4D,5D,6D,7D
IUPAC
1,2,3,4,5-pentadeuterio-6-(1,1,2,2,2-pentadeuterioethyl)benzene
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-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-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
Naphthalene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H8
Molecular Weight
128.17
Accurate Mass
128.0626
SMILES
c1ccc2ccccc2c1
InChI
InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H
IUPAC
naphthalene
Naphthalene D8
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
Molecular Formula
C10 D8
Molecular Weight
136.22
Accurate Mass
136.1128
SMILES
[2H]c1c([2H])c([2H])c2c([2H])c([2H])c([2H])c([2H])c2c1[2H]
InChI
InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H/i1D,2D,3D,4D,5D,6D,7D,8D
IUPAC
1,2,3,4,5,6,7,8-octadeuterionaphthalene
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
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
Storage & Transport Information
Storage Temperature
-18°C
Shipping Temperature
+20°C
Country of Origin
UNITED STATES
Transport Restrictions
Air Excepted
Tariff Code
38220000
Product Attributes
Product Format
Mixture
Solvent
Isooctane
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