ASTM Method D5441 Qualitative Standard without 3,5-Dimethyl-1-hexene in Deuterium oxide
Product Code
DRE-GA09000642DO
CAS Number
32 AnalytesProduct Format
Mixture
Solvent
Deuterium oxide
Product Information
Analyte Name
Concentration
CAS Number
Molecular Structure
1-Pentene
Accurate Mass
70.0783
Smiles
CCCC=C
InChI
InChI=1S/C5H10/c1-3-5-4-2/h3H,1,4-5H2,2H3
IUPAC
pent-1-ene
2,2,4,6,6-pentamethyl-3-heptene
Accurate Mass
168.1878
Smiles
C\C(=C/C(C)(C)C)\CC(C)(C)C
InChI
InChI=1S/C12H24/c1-10(8-11(2,3)4)9-12(5,6)7/h8H,9H2,1-7H3/b10-8+
IUPAC
(E)-2,2,4,6,6-pentamethylhept-3-ene
2,3,4-Trimethyl-2-pentene
Accurate Mass
112.1252
Smiles
CC(C)C(=C(C)C)C
InChI
InChI=1S/C8H16/c1-6(2)8(5)7(3)4/h6H,1-5H3
IUPAC
2,3,4-trimethylpent-2-ene
2,3-Dimethyl-1-butene
Accurate Mass
84.0939
Smiles
CC(C)C(=C)C
InChI
InChI=1S/C6H12/c1-5(2)6(3)4/h6H,1H2,2-4H3
IUPAC
2,3-dimethylbut-1-ene
2,4,4-Trimethyl-1-pentene
Accurate Mass
112.1252
Smiles
CC(=C)CC(C)(C)C
InChI
InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h1,6H2,2-5H3
IUPAC
2,4,4-trimethylpent-1-ene
2,4,4-Trimethyl-2-pentene
Accurate Mass
112.1252
Smiles
CC(=CC(C)(C)C)C
InChI
InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h6H,1-5H3
IUPAC
2,4,4-trimethylpent-2-ene
2-Butanone
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-Methoxybutane
Accurate Mass
88.0888
Smiles
CCC(C)OC
InChI
InChI=1S/C5H12O/c1-4-5(2)6-3/h5H,4H2,1-3H3
IUPAC
2-methoxybutane
2-Methyl-1-butene
Accurate Mass
70.0783
Smiles
CCC(=C)C
InChI
InChI=1S/C5H10/c1-4-5(2)3/h2,4H2,1,3H3
IUPAC
2-methylbut-1-ene
2-methyl-2-butene
Accurate Mass
70.0783
Smiles
CC=C(C)C
InChI
InChI=1S/C5H10/c1-4-5(2)3/h4H,1-3H3
IUPAC
2-methylbut-2-ene
2-Methylbutane
Accurate Mass
72.0939
Smiles
CCC(C)C
InChI
InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3
IUPAC
2-methylbutane
2-Methylpentane
Accurate Mass
86.1096
Smiles
CCCC(C)C
InChI
InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3
IUPAC
2-methylpentane
3-Methyl-1-butene
Accurate Mass
70.0783
Smiles
CC(C)C=C
InChI
InChI=1S/C5H10/c1-4-5(2)3/h4-5H,1H2,2-3H3
IUPAC
3-methylbut-1-ene
3-Methylpentane
Accurate Mass
86.1096
Smiles
CCC(C)CC
InChI
InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3
IUPAC
3-methylpentane
4,4-dimethyl-2-neopentyl-1-pentene
Accurate Mass
168.1878
Smiles
CC(C)(C)CC(=C)CC(C)(C)C
InChI
InChI=1S/C12H24/c1-10(8-11(2,3)4)9-12(5,6)7/h1,8-9H2,2-7H3
IUPAC
2,2,6,6-tetramethyl-4-methylene-heptane
Acetone
Accurate Mass
58.0419
Smiles
CC(=O)C
InChI
InChI=1S/C3H6O/c1-3(2)4/h1-2H3
IUPAC
propan-2-one
cis-2-Butene
Accurate Mass
56.0626
Smiles
C\C=C/C
InChI
InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3-
IUPAC
(Z)-but-2-ene
cis-2-Pentene
Accurate Mass
70.0783
Smiles
CC\C=C/C
InChI
InChI=1S/C5H10/c1-3-5-4-2/h3,5H,4H2,1-2H3/b5-3-
IUPAC
(Z)-pent-2-ene
cis-4-Methyl-2-pentene
Accurate Mass
84.0939
Smiles
C\C=C/C(C)C
InChI
InChI=1S/C6H12/c1-4-5-6(2)3/h4-6H,1-3H3/b5-4-
IUPAC
(Z)-4-methylpent-2-ene
Cyclopentene
Accurate Mass
68.0626
Smiles
C1CC=CC1
InChI
InChI=1S/C5H8/c1-2-4-5-3-1/h1-2H,3-5H2
IUPAC
cyclopentene
Ethyl tert-Butyl Ether (ETBE)
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
Isobutene
Accurate Mass
56.0626
Smiles
CC(=C)C
InChI
InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3
IUPAC
2-methylprop-1-ene
Isopropyl alcohol
Accurate Mass
60.0575
Smiles
CC(C)O
InChI
InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3
IUPAC
propan-2-ol
Methanol
Accurate Mass
32.0262
Smiles
CO
InChI
InChI=1S/CH4O/c1-2/h2H,1H3
IUPAC
methanol
Methyl tert-butyl ether
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
n-Butane
Accurate Mass
58.0783
Smiles
CCCC
InChI
InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3
IUPAC
butane
n-Pentane
Accurate Mass
72.0939
Smiles
CCCCC
InChI
InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3
IUPAC
pentane
tert-Amyl Methyl Ether (TAME)
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
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
trans-2-Butene
Accurate Mass
56.0626
Smiles
C\C=C\C
InChI
InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3+
IUPAC
(E)-but-2-ene
trans-2-Pentene
Accurate Mass
70.0783
Smiles
CC\C=C\C
InChI
InChI=1S/C5H10/c1-3-5-4-2/h3,5H,4H2,1-2H3/b5-3+
IUPAC
(E)-pent-2-ene
trans-3,4,4-Trimethyl-2-pentene
Accurate Mass
112.1252
Smiles
C\C=C(/C)\C(C)(C)C
InChI
InChI=1S/C8H16/c1-6-7(2)8(3,4)5/h6H,1-5H3/b7-6+
IUPAC
(E)-3,4,4-trimethylpent-2-ene
Storage Temperature
-10°C
Shipping Temperature
Room Temperature
Product Format
Mixture
Solvent
Deuterium oxide
