Semi-Volatiles Mix, 13-5486, 1000 mg/L
Product Code
O2SI-115486-02-10PAK
CAS Number
13 AnalytesProduct Format
Mixture
Matrix
M-t-BE
Product Categories
Product Type
Native/ParentShare product
- Product Name: Semi-Volatiles Mix, 13-5486, 1000 mg/L
- Product Code: O2SI-115486-02-10PAK
- Brand: o2si
Documentation
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Product Information
Analyte Data
Analyte Name
Measured Value
CAS Number
Molecular Structure
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1-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one
1000 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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(Z)-beta-Damascone
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C13 H20 O
Molecular Weight
192.297
Accurate Mass
192.151
SMILES
C\C=C/C(=O)C1=C(C)CCCC1(C)C
InChI
InChI=1S/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,7H,6,8-9H2,1-4H3/b7-5-
IUPAC
(Z)-1-(2,6,6-trimethylcyclohexen-1-yl)but-2-en-1-one
1-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C13 H18 O
Molecular Weight
190.28
Accurate Mass
190.1358
SMILES
CC=CC(=O)C1=C(C)C=CCC1(C)C
InChI
InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3
IUPAC
1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)but-2-en-1-one
2,3,5,6-Tetramethylpyrazine
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C8 H12 N2
Molecular Weight
136.19
Accurate Mass
136.1
SMILES
Cc1nc(C)c(C)nc1C
InChI
InChI=1S/C8H12N2/c1-5-6(2)10-8(4)7(3)9-5/h1-4H3
IUPAC
2,3,5,6-tetramethylpyrazine
2-Acetylpyrazine
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H6 N2 O
Molecular Weight
122.1246
Accurate Mass
122.048
SMILES
CC(=O)c1cnccn1
InChI
InChI=1S/C6H6N2O/c1-5(9)6-4-7-2-3-8-6/h2-4H,1H3
IUPAC
1-pyrazin-2-ylethanone
4'-Methoxyacetophenone
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H10 O2
Molecular Weight
150.17
Accurate Mass
150.0681
SMILES
COc1ccc(cc1)C(=O)C
InChI
InChI=1S/C9H10O2/c1-7(10)8-3-5-9(11-2)6-4-8/h3-6H,1-2H3
IUPAC
1-(4-methoxyphenyl)ethanone
4'-Methylacetophenone
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H10 O
Molecular Weight
134.18
Accurate Mass
134.0732
SMILES
CC(=O)c1ccc(C)cc1
InChI
InChI=1S/C9H10O/c1-7-3-5-9(6-4-7)8(2)10/h3-6H,1-2H3
IUPAC
1-(4-methylphenyl)ethanone
6-Methyl-3,5-heptadien-2-one
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C8 H12 O
Molecular Weight
124.18
Accurate Mass
124.089
SMILES
CC(=CC=CC(=O)C)C
InChI
InChI=1S/C8H12O/c1-7(2)5-4-6-8(3)9/h4-6H,1-3H3
IUPAC
6-methylhepta-3,5-dien-2-one
DL-Linalool
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H18 O
Molecular Weight
154.249
Accurate Mass
154.136
SMILES
CC(=CCCC(C)(O)C=C)C
InChI
InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3
IUPAC
3,7-dimethylocta-1,6-dien-3-ol
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
Propenylguaethol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C11 H14 O2
Molecular Weight
178.228
Accurate Mass
178.099
SMILES
CCOc1ccc(C=CC)cc1O
InChI
InChI=1S/C11H14O2/c1-3-5-9-6-7-11(13-4-2)10(12)8-9/h3,5-8,12H,4H2,1-2H3
IUPAC
2-ethoxy-5-prop-1-enylphenol
Salicylic acid methyl ester
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C8 H8 O3
Molecular Weight
152.15
Accurate Mass
152.0473
SMILES
COC(=O)c1ccccc1O
InChI
InChI=1S/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H3
IUPAC
methyl 2-hydroxybenzoate
Thymol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H14 O
Molecular Weight
150.22
Accurate Mass
150.1045
SMILES
CC(C)c1ccc(C)cc1O
InChI
InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3
IUPAC
5-methyl-2-propan-2-ylphenol
trans-Anethole
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H12 O
Molecular Weight
148.20
Accurate Mass
148.0888
SMILES
COc1ccc(\C=C\C)cc1
InChI
InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/b4-3+
IUPAC
1-methoxy-4-[(E)-prop-1-enyl]benzene
Product Data
Storage Temperature
-18°C
Shipping Temperature
+20°C
Country of Origin
UNITED STATES
Product Format
Mixture
Matrix
M-t-BE
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