Volatile Mix, 35-4655, 1000 mg/L
Product Code
O2SI-124655-01
CAS Number
35 AnalytesProduct Format
Mixture
Matrix
Methanol
Product Categories
Product Type
Native/ParentShare product
- Product Name: Volatile Mix, 35-4655, 1000 mg/L
- Product Code: O2SI-124655-01
- Brand: o2si
Documentation
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Product Information
Analyte Data
Analyte Name
Measured Value
CAS Number
Molecular Structure
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Dichloromethane (Methylenechloride)
1000 µg/mL
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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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1,1,1-Trichloroethane
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C2 H3 Cl3
Molecular Weight
133.40
Accurate Mass
131.93
SMILES
CC(Cl)(Cl)Cl
InChI
InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3
IUPAC
1,1,1-trichloroethane
1,1-Dichloroethene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C2 H2 Cl2
Molecular Weight
96.94
Accurate Mass
95.9534
SMILES
ClC(=C)Cl
InChI
InChI=1S/C2H2Cl2/c1-2(3)4/h1H2
IUPAC
1,1-dichloroethene
1,4-Dichlorobenzene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H4 Cl2
Molecular Weight
147.00
Accurate Mass
145.969
SMILES
Clc1ccc(Cl)cc1
InChI
InChI=1S/C6H4Cl2/c7-5-1-2-6(8)4-3-5/h1-4H
IUPAC
1,4-dichlorobenzene
1,4-Dioxane
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C4 H8 O2
Molecular Weight
88.11
Accurate Mass
88.0524
SMILES
C1COCCO1
InChI
InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2
IUPAC
1,4-dioxane
1-Methoxy-2-propanol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C4 H10 O2
Molecular Weight
90.12
Accurate Mass
90.0681
SMILES
COCC(C)O
InChI
InChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3
IUPAC
1-methoxypropan-2-ol
2-Ethoxyethanol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C4 H10 O2
Molecular Weight
90.12
Accurate Mass
90.0681
SMILES
CCOCCO
InChI
InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3
IUPAC
2-ethoxyethanol
2-Methoxyethanol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C3 H8 O2
Molecular Weight
76.09
Accurate Mass
76.0524
SMILES
COCCO
InChI
InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3
IUPAC
2-methoxyethanol
4-Phenyl-1-cyclohexene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H14
Molecular Weight
158.24
Accurate Mass
158.1096
SMILES
C1CC(CC=C1)c2ccccc2
InChI
InChI=1S/C12H14/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-5,7-8,12H,6,9-10H2
IUPAC
cyclohex-3-en-1-ylbenzene
4-Vinyl-1-cyclohexene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C8 H12
Molecular Weight
108.18
Accurate Mass
108.0939
SMILES
C=CC1CCC=CC1
InChI
InChI=1S/C8H12/c1-2-8-6-4-3-5-7-8/h2-4,8H,1,5-7H2
IUPAC
4-ethenylcyclohexene
Acetic acid-2-ethoxyethyl ester
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H12 O3
Molecular Weight
132.16
Accurate Mass
132.0786
SMILES
CCOCCOC(=O)C
InChI
InChI=1S/C6H12O3/c1-3-8-4-5-9-6(2)7/h3-5H2,1-2H3
IUPAC
2-ethoxyethyl acetate
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
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
Chlorobenzene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H5 Cl
Molecular Weight
112.56
Accurate Mass
112.008
SMILES
Clc1ccccc1
InChI
InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H
IUPAC
chlorobenzene
Chloroform
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C H Cl3
Molecular Weight
119.38
Accurate Mass
117.9144
SMILES
ClC(Cl)Cl
InChI
InChI=1S/CHCl3/c2-1(3)4/h1H
IUPAC
chloroform
Dichloromethane (Methylenechloride)
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C H2 Cl2
Molecular Weight
84.93
Accurate Mass
83.9534
SMILES
ClCCl
InChI
InChI=1S/CH2Cl2/c2-1-3/h1H2
IUPAC
dichloromethane
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
Ethylene glycol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C2 H6 O2
Molecular Weight
62.07
Accurate Mass
62.0368
SMILES
OCCO
InChI
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
IUPAC
ethane-1,2-diol
Isophorone
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H14 O
Molecular Weight
138.21
Accurate Mass
138.1045
SMILES
CC1=CC(=O)CC(C)(C)C1
InChI
InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3
IUPAC
3,5,5-trimethylcyclohex-2-en-1-one
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
Methyl tert-butyl ether
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C5 H12 O
Molecular Weight
88.15
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,N-Dimethylformamide
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C3 H7 N O
Molecular Weight
73.09
Accurate Mass
73.0528
SMILES
CN(C)C=O
InChI
InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3
IUPAC
N,N-dimethylformamide
n-Heptadecane
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C17 H36
Molecular Weight
240.47
Accurate Mass
240.2817
SMILES
CCCCCCCCCCCCCCCCC
InChI
InChI=1S/C17H36/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-17H2,1-2H3
IUPAC
heptadecane
n-Hexadecane
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C16 H34
Molecular Weight
226.44
Accurate Mass
226.2661
SMILES
CCCCCCCCCCCCCCCC
InChI
InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3
IUPAC
hexadecane
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-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
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
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
Phenol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H6 O
Molecular Weight
94.11
Accurate Mass
94.0419
SMILES
Oc1ccccc1
InChI
InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H
IUPAC
phenol
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
Tetrachloroethene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C2 Cl4
Molecular Weight
165.83
Accurate Mass
163.8754
SMILES
ClC(=C(Cl)Cl)Cl
InChI
InChI=1S/C2Cl4/c3-1(4)2(5)6
IUPAC
1,1,2,2-tetrachloroethene
Tetrachloromethane
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C Cl4
Molecular Weight
153.82
Accurate Mass
151.8754
SMILES
ClC(Cl)(Cl)Cl
InChI
InChI=1S/CCl4/c2-1(3,4)5
IUPAC
tetrachloromethane
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
Trichloroethene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C2 H Cl3
Molecular Weight
131.39
Accurate Mass
129.9144
SMILES
ClC=C(Cl)Cl
InChI
InChI=1S/C2HCl3/c3-1-2(4)5/h1H
IUPAC
1,1,2-trichloroethene
Product Data
Storage Temperature
-18°C
Shipping Temperature
+20°C
Country of Origin
UNITED STATES
Product Format
Mixture
Matrix
Methanol
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