California Solvent Mixture Version 2 1000 µg/mL in Triacetin
Product Code
DRE-GA09000698TN
CAS Number
48 AnalytesProduct Format
Mixture
Solvent
Triacetin
Lot Number
2-H530768TN
Expiry
2029-12-16
Regulatory Method
California
Product Categories
Documentation
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Product Information
Analyte Data
Analyte Name
Concentration
CAS Number
Molecular Structure
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Dichloromethane (Methylenechloride)
1000.0 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
{{ analyteItem.smiles[0].name }}
InChI
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IUPAC
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1,2-Dichloroethane
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C2 H4 Cl2
Molecular Weight
98.96
Accurate Mass
97.969
SMILES
ClCCCl
InChI
InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2
IUPAC
1,2-dichloroethane
1,2-Dimethoxyethane
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C4 H10 O2
Molecular Weight
90.12
Accurate Mass
90.0681
SMILES
COCCOC
InChI
InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3
IUPAC
1,2-dimethoxyethane
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-Propanol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C3 H8 O
Molecular Weight
60.10
Accurate Mass
60.0575
SMILES
CCCO
InChI
InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3
IUPAC
propan-1-ol
2,2-Dimethylbutane
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H14
Molecular Weight
86.18
Accurate Mass
86.1096
SMILES
CCC(C)(C)C
InChI
InChI=1S/C6H14/c1-5-6(2,3)4/h5H2,1-4H3
IUPAC
2,2-dimethylbutane
2,3-Dimethylbutane
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H14
Molecular Weight
86.18
Accurate Mass
86.1096
SMILES
CC(C)C(C)C
InChI
InChI=1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3
IUPAC
2,3-dimethylbutane
2-Butanol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C4 H10 O
Molecular Weight
74.12
Accurate Mass
74.0732
SMILES
CCC(C)O
InChI
InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3
IUPAC
butan-2-ol
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-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-Methylbutane
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C5 H12
Molecular Weight
72.15
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
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H14
Molecular Weight
86.18
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-Methylpentane
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H14
Molecular Weight
86.18
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
Acetic acid-isopropyl ester
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C5 H10 O2
Molecular Weight
102.13
Accurate Mass
102.0681
SMILES
CC(C)OC(=O)C
InChI
InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3
IUPAC
propan-2-yl acetate
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
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 Alcohol, n-butanol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C4 H10 O
Molecular Weight
74.12
Accurate Mass
74.0732
SMILES
CCCCO
InChI
InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3
IUPAC
butan-1-ol
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
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
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
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
Dimethylacetamide
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C4 H9 N O
Molecular Weight
87.12
Accurate Mass
87.0684
SMILES
CN(C)C(=O)C
InChI
InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3
IUPAC
N,N-dimethylacetamide
Dimethylsulfoxide
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C2 H6 O S
Molecular Weight
78.13
Accurate Mass
78.0139
SMILES
CS(=O)C
InChI
InChI=1S/C2H6OS/c1-4(2)3/h1-2H3
IUPAC
methylsulfinylmethane
Ethanol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C2 H6 O
Molecular Weight
46.07
Accurate Mass
46.0419
SMILES
CCO
InChI
InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
IUPAC
ethanol
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
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
Isobutane (2-Methylpropane)
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C4 H10
Molecular Weight
58.12
Accurate Mass
58.0783
SMILES
CC(C)C
InChI
InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3
IUPAC
2-methylpropane
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
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
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
Methanol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C H4 O
Molecular Weight
32.04
Accurate Mass
32.0262
SMILES
CO
InChI
InChI=1S/CH4O/c1-2/h2H,1H3
IUPAC
methanol
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-Butane
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C4 H10
Molecular Weight
58.12
Accurate Mass
58.0783
SMILES
CCCC
InChI
InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3
IUPAC
butane
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-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
n-Pentyl Alcohol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C5 H12 O
Molecular Weight
88.15
Accurate Mass
88.0888
SMILES
CCCCCO
InChI
InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3
IUPAC
pentan-1-ol
N-Propane
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C3 H8
Molecular Weight
44.10
Accurate Mass
44.0626
SMILES
CCC
InChI
InChI=1S/C3H8/c1-3-2/h3H2,1-2H3
IUPAC
propane
Neopentane
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C5 H12
Molecular Weight
72.15
Accurate Mass
72.0939
SMILES
CC(C)(C)C
InChI
InChI=1S/C5H12/c1-5(2,3)4/h1-4H3
IUPAC
2,2-dimethylpropane
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
Oxirane
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C2 H4 O
Molecular Weight
44.05
Accurate Mass
44.0262
SMILES
C1CO1
InChI
InChI=1S/C2H4O/c1-2-3-1/h1-2H2
IUPAC
oxirane
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
Pyridine
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C5 H5 N
Molecular Weight
79.10
Accurate Mass
79.0422
SMILES
c1ccncc1
InChI
InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H
IUPAC
pyridine
Sulfolan
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C4 H8 O2 S
Molecular Weight
120.17
Accurate Mass
120.0245
SMILES
O=S1(=O)CCCC1
InChI
InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2
IUPAC
thiolane 1,1-dioxide
Tetrahydrofuran
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C4 H8 O
Molecular Weight
72.11
Accurate Mass
72.0575
SMILES
C1CCOC1
InChI
InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2
IUPAC
oxolane
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
Cold 2-8C
Country of Origin
UNITED STATES
Product Format
Mixture
Solvent
Triacetin
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