VOC Mix, 36-84, Various Concentrations
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- structure.search.product.name VOC Mix, 36-84, Various Concentrations
- Product Code: O2SI-122809-05-4PAK
- Brand: o2si
Product Overview
Product Code
O2SI-122809-05-4PAK
CAS Number
36 AnalytesProduct Format
Mixture
Matrix
P/T Methanol
Product Categories
Product Type
Stable Isotope LabelledDocumentation
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Product Information
Analyte Data
Analyte Name
Measured Value
CAS Number
Molecular Structure
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CAS Number
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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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1,1-Dichloropropene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C3 H4 Cl2
Molecular Weight
110.97
Accurate Mass
109.969
SMILES
CC=C(Cl)Cl
InChI
InChI=1S/C3H4Cl2/c1-2-3(4)5/h2H,1H3
IUPAC
1,1-dichloroprop-1-ene
1,2,3-Trichloropropane
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C3 H5 Cl3
Molecular Weight
147.43
Accurate Mass
145.9457
SMILES
ClCC(Cl)CCl
InChI
InChI=1S/C3H5Cl3/c4-1-3(6)2-5/h3H,1-2H2
IUPAC
1,2,3-trichloropropane
1,2-Dibromo-3-chloropropane
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C3 H5 Br2 Cl
Molecular Weight
236.33
Accurate Mass
233.8447
SMILES
ClCC(Br)CBr
InChI
InChI=1S/C3H5Br2Cl/c4-1-3(5)2-6/h3H,1-2H2
IUPAC
1,2-dibromo-3-chloropropane
1,3-Dichloropropane
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C3 H6 Cl2
Molecular Weight
112.99
Accurate Mass
111.9847
SMILES
ClCCCCl
InChI
InChI=1S/C3H6Cl2/c4-2-1-3-5/h1-3H2
IUPAC
1,3-dichloropropane
2,2-Dichloropropane
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C3 H6 Cl2
Molecular Weight
112.99
Accurate Mass
111.9847
SMILES
CC(C)(Cl)Cl
InChI
InChI=1S/C3H6Cl2/c1-3(2,4)5/h1-2H3
IUPAC
2,2-dichloropropane
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
2-Chlorotoluene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C7 H7 Cl
Molecular Weight
126.58
Accurate Mass
126.0236
SMILES
Cc1ccccc1Cl
InChI
InChI=1S/C7H7Cl/c1-6-4-2-3-5-7(6)8/h2-5H,1H3
IUPAC
1-chloro-2-methylbenzene
2-Hexanone
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H12 O
Molecular Weight
100.16
Accurate Mass
100.0888
SMILES
CCCCC(=O)C
InChI
InChI=1S/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3
IUPAC
hexan-2-one
2-Nitropropane
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C3 H7 N O2
Molecular Weight
89.09
Accurate Mass
89.0477
SMILES
CC(C)[N+](=O)[O-]
InChI
InChI=1S/C3H7NO2/c1-3(2)4(5)6/h3H,1-2H3
IUPAC
2-nitropropane
4-Chlorotoluene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C7 H7 Cl
Molecular Weight
126.58
Accurate Mass
126.0236
SMILES
Cc1ccc(Cl)cc1
InChI
InChI=1S/C7H7Cl/c1-6-2-4-7(8)5-3-6/h2-5H,1H3
IUPAC
1-chloro-4-methylbenzene
4-Cymene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H14
Molecular Weight
134.22
Accurate Mass
134.1096
SMILES
CC(C)c1ccc(C)cc1
InChI
InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3
IUPAC
1-methyl-4-propan-2-ylbenzene
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
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
Acetonitrile
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C2 H3 N
Molecular Weight
41.05
Accurate Mass
41.0265
SMILES
CC#N
InChI
InChI=1S/C2H3N/c1-2-3/h1H3
IUPAC
acetonitrile
Acrylonitrile
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C3 H3 N
Molecular Weight
53.06
Accurate Mass
53.0265
SMILES
C=CC#N
InChI
InChI=1S/C3H3N/c1-2-3-4/h2H,1H2
IUPAC
prop-2-enenitrile
Bromobenzene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H5 Br
Molecular Weight
157.01
Accurate Mass
155.9575
SMILES
Brc1ccccc1
InChI
InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H
IUPAC
bromobenzene
Bromochloromethane
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C H2 Br Cl
Molecular Weight
129.38
Accurate Mass
127.9028
SMILES
ClCBr
InChI
InChI=1S/CH2BrCl/c2-1-3/h1H2
IUPAC
bromo(chloro)methane
Carbon disulfide
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C S2
Molecular Weight
76.14
Accurate Mass
75.9441
SMILES
S=C=S
InChI
InChI=1S/CS2/c2-1-3
IUPAC
methanedithione
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
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
Dibromomethane
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C H2 Br2
Molecular Weight
173.83
Accurate Mass
171.8523
SMILES
BrCBr
InChI
InChI=1S/CH2Br2/c2-1-3/h1H2
IUPAC
dibromomethane
Dichlorodifluoromethane
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C Cl2 F2
Molecular Weight
120.91
Accurate Mass
119.9345
SMILES
FC(F)(Cl)Cl
InChI
InChI=1S/CCl2F2/c2-1(3,4)5
IUPAC
dichloro(difluoro)methane
Dicyclopentadiene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H12
Molecular Weight
132.20
Accurate Mass
132.0939
SMILES
C1C=CC2[C@@H]3C[C@@H](C=C3)C12
InChI
InChI=1S/C10H12/c1-2-9-7-4-5-8(6-7)10(9)3-1/h1-2,4-5,7-10H,3,6H2/t7-,8+,9?,10?/m0/s1
IUPAC
(1R,7S)-tricyclo[5.2.1.02,6]deca-3,8-diene
Diethylether
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C4 H10 O
Molecular Weight
74.12
Accurate Mass
74.0732
SMILES
CCOCC
InChI
InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3
IUPAC
ethoxyethane
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
Hexachlorobutadiene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C4 Cl6
Molecular Weight
260.76
Accurate Mass
257.8131
SMILES
ClC(=C(Cl)C(=C(Cl)Cl)Cl)Cl
InChI
InChI=1S/C4Cl6/c5-1(3(7)8)2(6)4(9)10
IUPAC
1,1,2,3,4,4-hexachlorobuta-1,3-diene
Isopropylbenzene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H12
Molecular Weight
120.19
Accurate Mass
120.0939
SMILES
CC(C)c1ccccc1
InChI
InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3
IUPAC
cumene
Methacrylic acid-ethyl ester
CAS Number
Alternate CAS Number
Unlabelled CAS Number
-
Molecular Formula
C6 H10 O2
Molecular Weight
114.14
Accurate Mass
114.0681
SMILES
CCOC(=O)C(=C)C
InChI
InChI=1S/C6H10O2/c1-4-8-6(7)5(2)3/h2,4H2,1,3H3
IUPAC
ethyl 2-methylprop-2-enoate
Methyl iodide
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C H3 I
Molecular Weight
141.94
Accurate Mass
141.9279
SMILES
CI
InChI
InChI=1S/CH3I/c1-2/h1H3
IUPAC
iodomethane
n-Butylbenzene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H14
Molecular Weight
134.22
Accurate Mass
134.1096
SMILES
CCCCc1ccccc1
InChI
InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3
IUPAC
butylbenzene
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
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
Nitrobenzene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H5 N O2
Molecular Weight
123.11
Accurate Mass
123.032
SMILES
[O-][N+](=O)c1ccccc1
InChI
InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H
IUPAC
nitrobenzene
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
sec-Butylbenzene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H14
Molecular Weight
134.22
Accurate Mass
134.1096
SMILES
CCC(C)c1ccccc1
InChI
InChI=1S/C10H14/c1-3-9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3
IUPAC
butan-2-ylbenzene
tert-Butylbenzene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H14
Molecular Weight
134.22
Accurate Mass
134.1096
SMILES
CC(C)(C)c1ccccc1
InChI
InChI=1S/C10H14/c1-10(2,3)9-7-5-4-6-8-9/h4-8H,1-3H3
IUPAC
tert-butylbenzene
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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