Volatile Mix, 22-1172, 2,000 mg/L
Product Code
O2SI-121172-02
CAS Number
22 AnalytesProduct Format
Mixture
Matrix
P/T Methanol
Product Categories
Product Type
Native/ParentShare product
- Product Name: Volatile Mix, 22-1172, 2,000 mg/L
- Product Code: O2SI-121172-02
- Brand: o2si
Documentation
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Product Information
Analyte Data
Analyte Name
Measured Value
CAS Number
Molecular Structure
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Propylene glycol 1-methyl ether 2-acetate
2000 mg/L
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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-Decene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H20
Molecular Weight
140.27
Accurate Mass
140.1565
SMILES
CCCCCCCCC=C
InChI
InChI=1S/C10H20/c1-3-5-7-9-10-8-6-4-2/h3H,1,4-10H2,2H3
IUPAC
dec-1-ene
1-Dodecene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H24
Molecular Weight
168.32
Accurate Mass
168.1878
SMILES
CCCCCCCCCCC=C
InChI
InChI=1S/C12H24/c1-3-5-7-9-11-12-10-8-6-4-2/h3H,1,4-12H2,2H3
IUPAC
dodec-1-ene
2-Heptanone
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C7 H14 O
Molecular Weight
114.19
Accurate Mass
114.1045
SMILES
CCCCCC(=O)C
InChI
InChI=1S/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H3
IUPAC
heptan-2-one
2-Nonanone
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H18 O
Molecular Weight
142.24
Accurate Mass
142.1358
SMILES
CCCCCCCC(=O)C
InChI
InChI=1S/C9H18O/c1-3-4-5-6-7-8-9(2)10/h3-8H2,1-2H3
IUPAC
nonan-2-one
3-Pentanone
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C5 H10 O
Molecular Weight
86.13
Accurate Mass
86.0732
SMILES
CCC(=O)CC
InChI
InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3
IUPAC
pentan-3-one
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
Anisole
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C7 H8 O
Molecular Weight
108.14
Accurate Mass
108.0575
SMILES
COc1ccccc1
InChI
InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3
IUPAC
anisole
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
Cyclopentanone
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C5 H8 O
Molecular Weight
84.12
Accurate Mass
84.0575
SMILES
O=C1CCCC1
InChI
InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2
IUPAC
cyclopentanone
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
Hexamethyldisiloxane
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6H18OSi2
Molecular Weight
162.38
Accurate Mass
162.09
SMILES
C[Si](C)(C)O[Si](C)(C)C
InChI
InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3
IUPAC
trimethyl(trimethylsilyloxy)silane
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
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
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
Cc1ccccc1C
InChI
InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3
IUPAC
1,2-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
Propylene glycol 1-methyl ether 2-acetate
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H12 O3
Molecular Weight
132.16
Accurate Mass
132.0786
SMILES
COCC(C)OC(=O)C
InChI
InChI=1S/C6H12O3/c1-5(4-8-3)9-6(2)7/h5H,4H2,1-3H3
IUPAC
1-methoxypropan-2-yl acetate
Styrene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C8 H8
Molecular Weight
104.15
Accurate Mass
104.0626
SMILES
C=Cc1ccccc1
InChI
InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2
IUPAC
styrene
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
Ice pack (-20°C)
Country of Origin
UNITED STATES
Product Format
Mixture
Matrix
P/T Methanol
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