Volatile Mix, 29-3066, 2,000 mg/L
Product Code
O2SI-123066-01-5PAK
CAS Number
29 AnalytesProduct Format
Mixture
Matrix
P/T Methanol
Product Categories
Product Type
Native/ParentShare product
- Product Name: Volatile Mix, 29-3066, 2,000 mg/L
- Product Code: O2SI-123066-01-5PAK
- Brand: o2si
Documentation
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Product Information
Analyte Data
Analyte Name
Measured Value
CAS Number
Molecular Structure
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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-Dichloropropanone-2
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C3 H4 Cl2 O
Molecular Weight
126.97
Accurate Mass
125.9639
SMILES
CC(=O)C(Cl)Cl
InChI
InChI=1S/C3H4Cl2O/c1-2(6)3(4)5/h3H,1H3
IUPAC
1,1-dichloropropan-2-one
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-Chloroethyl-vinylether
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C4 H7 Cl O
Molecular Weight
106.55
Accurate Mass
106.0185
SMILES
ClCCOC=C
InChI
InChI=1S/C4H7ClO/c1-2-6-4-3-5/h2H,1,3-4H2
IUPAC
1-chloro-2-ethenoxyethane
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-Methyltetrahydrofuran
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C5H10O
Molecular Weight
86.13
Accurate Mass
86.0732
SMILES
CC1CCCO1
InChI
InChI=1S/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3
IUPAC
2-methyloxolane
3-Methyl-2-butanone
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C5 H10 O
Molecular Weight
86.13
Accurate Mass
86.0732
SMILES
CC(C)C(=O)C
InChI
InChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3
IUPAC
3-methylbutan-2-one
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
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
Acrylic acid butyl ester
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C7 H12 O2
Molecular Weight
128.17
Accurate Mass
128.0837
SMILES
CCCCOC(=O)C=C
InChI
InChI=1S/C7H12O2/c1-3-5-6-9-7(8)4-2/h4H,2-3,5-6H2,1H3
IUPAC
butyl prop-2-enoate
Acrylic acid methyl ester
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C4 H6 O2
Molecular Weight
86.09
Accurate Mass
86.0368
SMILES
COC(=O)C=C
InChI
InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3
IUPAC
methyl prop-2-enoate
Acrylic acid-ethyl ester
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C5 H8 O2
Molecular Weight
100.12
Accurate Mass
100.0524
SMILES
CCOC(=O)C=C
InChI
InChI=1S/C5H8O2/c1-3-5(6)7-4-2/h3H,1,4H2,2H3
IUPAC
ethyl prop-2-enoate
Amyl Acetate
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C7 H14 O2
Molecular Weight
130.18
Accurate Mass
130.0994
SMILES
CCCCCOC(=O)C
InChI
InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3
IUPAC
pentyl acetate
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
Chloroacetonitrile
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C2 H2 Cl N
Molecular Weight
75.50
Accurate Mass
74.9876
SMILES
ClCC#N
InChI
InChI=1S/C2H2ClN/c3-1-2-4/h1H2
IUPAC
2-chloroacetonitrile
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
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
Diisopropyl ether
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H14 O
Molecular Weight
102.17
Accurate Mass
102.1045
SMILES
CC(C)OC(C)C
InChI
InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3
IUPAC
2-propan-2-yloxypropane
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
Isobutyl Acetate
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H12 O2
Molecular Weight
116.16
Accurate Mass
116.0837
SMILES
CC(C)COC(=O)C
InChI
InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3
IUPAC
2-methylpropyl acetate
Mesityloxide
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H10 O
Molecular Weight
98.14
Accurate Mass
98.0732
SMILES
CC(=CC(=O)C)C
InChI
InChI=1S/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H3
IUPAC
4-methylpent-3-en-2-one
Methacrylic acid butyl ester
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C8 H14 O2
Molecular Weight
142.20
Accurate Mass
142.0994
SMILES
CCCCOC(=O)C(=C)C
InChI
InChI=1S/C8H14O2/c1-4-5-6-10-8(9)7(2)3/h2,4-6H2,1,3H3
IUPAC
butyl 2-methylprop-2-enoate
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
Methacrylic acid-methyl ester
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C5 H8 O2
Molecular Weight
100.12
Accurate Mass
100.0524
SMILES
COC(=O)C(=C)C
InChI
InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3
IUPAC
methyl 2-methylprop-2-enoate
Methyl Acetate
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C3 H6 O2
Molecular Weight
74.08
Accurate Mass
74.0368
SMILES
COC(=O)C
InChI
InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3
IUPAC
methyl acetate
Methylpropylketone
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C5 H10 O
Molecular Weight
86.13
Accurate Mass
86.0732
SMILES
CCCC(=O)C
InChI
InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3
IUPAC
pentan-2-one
Propyl Acetate
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C5 H10 O2
Molecular Weight
102.13
Accurate Mass
102.0681
SMILES
CCCOC(=O)C
InChI
InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3
IUPAC
propyl acetate
tert-Amyl Methyl Ether (TAME)
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H14 O
Molecular Weight
102.17
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
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
Product Data
Storage Temperature
-18°C
Shipping Temperature
+20°C
Country of Origin
UNITED STATES
Product Format
Mixture
Matrix
P/T Methanol
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