ASTM Method D7845 Check Standard 0.01-0.05 Wt% in Toluene
Product Code
DRE-GS09001085TO
CAS Number
34 AnalytesProduct Format
Mixture
Solvent
Toluene
Product Categories
Product Type
Stable Isotope LabelledPlease login or register to add to your favourites
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Documentation
Certificate of Analysis
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Safety Data Sheet
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Product Information
Analyte Name
Concentration
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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(+)-Limonene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H16
Molecular Weight
136.23
Accurate Mass
136.1252
SMILES
CC(=C)[C@@H]1CCC(=CC1)C
InChI
InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1
IUPAC
(4R)-1-methyl-4-prop-1-en-2-ylcyclohexene
(1R)-(+)-beta-Pinene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H16
Molecular Weight
136.23
Accurate Mass
136.1252
SMILES
CC1(C)[C@@H]2CCC(=C)[C@H]1C2
InChI
InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3/t8-,9-/m1/s1
IUPAC
(1R,5R)-6,6-dimethyl-4-methylidenebicyclo[3.1.1]heptane
1-Methylnaphthalene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C11 H10
Molecular Weight
142.20
Accurate Mass
142.0783
SMILES
Cc1cccc2ccccc12
InChI
InChI=1S/C11H10/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-8H,1H3
IUPAC
1-methylnaphthalene
1-Phenoxy-2-propanol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H12 O2
Molecular Weight
152.19
Accurate Mass
152.0837
SMILES
CC(O)COc1ccccc1
InChI
InChI=1S/C9H12O2/c1-8(10)7-11-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3
IUPAC
1-phenoxypropan-2-ol
1-Phenylethanol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C8 H10 O
Molecular Weight
122.16
Accurate Mass
122.0732
SMILES
CC(O)c1ccccc1
InChI
InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3
IUPAC
1-phenylethanol
2,4-Dimethylphenol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C8 H10 O
Molecular Weight
122.16
Accurate Mass
122.0732
SMILES
Cc1ccc(O)c(C)c1
InChI
InChI=1S/C8H10O/c1-6-3-4-8(9)7(2)5-6/h3-5,9H,1-2H3
IUPAC
2,4-dimethylphenol
2,4-dimethylstyrene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H12
Molecular Weight
132.20
Accurate Mass
132.0939
SMILES
Cc1ccc(C=C)c(C)c1
InChI
InChI=1S/C10H12/c1-4-10-6-5-8(2)7-9(10)3/h4-7H,1H2,2-3H3
IUPAC
2,4-dimethyl-1-vinyl-benzene
2,5-dimethylstyrene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H12
Molecular Weight
132.20
Accurate Mass
132.0939
SMILES
Cc1ccc(C)c(C=C)c1
InChI
InChI=1S/C10H12/c1-4-10-7-8(2)5-6-9(10)3/h4-7H,1H2,2-3H3
IUPAC
1,4-dimethyl-2-vinyl-benzene
2-Ethylphenol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C8 H10 O
Molecular Weight
122.16
Accurate Mass
122.0732
SMILES
CCc1ccccc1O
InChI
InChI=1S/C8H10O/c1-2-7-5-3-4-6-8(7)9/h3-6,9H,2H2,1H3
IUPAC
2-ethylphenol
2-Methylnaphthalene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C11 H10
Molecular Weight
142.20
Accurate Mass
142.0783
SMILES
Cc1ccc2ccccc2c1
InChI
InChI=1S/C11H10/c1-9-6-7-10-4-2-3-5-11(10)8-9/h2-8H,1H3
IUPAC
2-methylnaphthalene
2-Methylstyrene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H10
Molecular Weight
118.18
Accurate Mass
118.0783
SMILES
Cc1ccccc1C=C
InChI
InChI=1S/C9H10/c1-3-9-7-5-4-6-8(9)2/h3-7H,1H2,2H3
IUPAC
1-ethenyl-2-methylbenzene
2-Phenoxy-1-propanol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H12 O2
Molecular Weight
152.19
Accurate Mass
152.0837
SMILES
CC(CO)Oc1ccccc1
InChI
InChI=1S/C9H12O2/c1-8(7-10)11-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3
IUPAC
2-phenoxypropan-1-ol
2-Phenylethanol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C8 H10 O
Molecular Weight
122.16
Accurate Mass
122.0732
SMILES
OCCc1ccccc1
InChI
InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2
IUPAC
2-phenylethanol
3-Ethylphenol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C8 H10 O
Molecular Weight
122.16
Accurate Mass
122.0732
SMILES
CCc1cccc(O)c1
InChI
InChI=1S/C8H10O/c1-2-7-4-3-5-8(9)6-7/h3-6,9H,2H2,1H3
IUPAC
3-ethylphenol
3-Methylstyrene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H10
Molecular Weight
118.18
Accurate Mass
118.0783
SMILES
Cc1cccc(C=C)c1
InChI
InChI=1S/C9H10/c1-3-9-6-4-5-8(2)7-9/h3-7H,1H2,2H3
IUPAC
1-ethenyl-3-methylbenzene
4-Ethylphenol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C8 H10 O
Molecular Weight
122.16
Accurate Mass
122.0732
SMILES
CCc1ccc(O)cc1
InChI
InChI=1S/C8H10O/c1-2-7-3-5-8(9)6-4-7/h3-6,9H,2H2,1H3
IUPAC
4-ethylphenol
4-Isopropylphenol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H12 O
Molecular Weight
136.19
Accurate Mass
136.0888
SMILES
CC(C)c1ccc(O)cc1
InChI
InChI=1S/C9H12O/c1-7(2)8-3-5-9(10)6-4-8/h3-7,10H,1-2H3
IUPAC
4-propan-2-ylphenol
4-Methylstyrene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H10
Molecular Weight
118.18
Accurate Mass
118.0783
SMILES
Cc1ccc(C=C)cc1
InChI
InChI=1S/C9H10/c1-3-9-6-4-8(2)5-7-9/h3-7H,1H2,2H3
IUPAC
1-ethenyl-4-methylbenzene
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
alpha-Methylstyrene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H10
Molecular Weight
118.18
Accurate Mass
118.0783
SMILES
CC(=C)c1ccccc1
InChI
InChI=1S/C9H10/c1-8(2)9-6-4-3-5-7-9/h3-7H,1H2,2H3
IUPAC
prop-1-en-2-ylbenzene
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
Cyclohexanol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H12 O
Molecular Weight
100.16
Accurate Mass
100.0888
SMILES
OC1CCCCC1
InChI
InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2
IUPAC
cyclohexanol
Di-n-butylether
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C8 H18 O
Molecular Weight
130.23
Accurate Mass
130.1358
SMILES
CCCCOCCCC
InChI
InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3
IUPAC
1-butoxybutane
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
3a,4,7,7a-tetrahydro-4,7-methano-1H-indene
DL-alpha-Pinene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H16
Molecular Weight
136.23
Accurate Mass
136.1252
SMILES
CC1=CCC2CC1C2(C)C
InChI
InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3
IUPAC
4,6,6-trimethylbicyclo[3.1.1]hept-3-ene
Ethylbenzene-d10
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C8 2H10
Molecular Weight
116.23
Accurate Mass
116.141
SMILES
[2H]c1c([2H])c([2H])c(c([2H])c1[2H])C([2H])([2H])C([2H])([2H])[2H]
InChI
InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3/i1D3,2D2,3D,4D,5D,6D,7D
IUPAC
1,2,3,4,5-pentadeuterio-6-(1,1,2,2,2-pentadeuterioethyl)benzene
Indene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H8
Molecular Weight
116.16
Accurate Mass
116.0626
SMILES
C1C=Cc2ccccc12
InChI
InChI=1S/C9H8/c1-2-5-9-7-3-6-8(9)4-1/h1-6H,7H2
IUPAC
1H-indene
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
p,a-Dimethylstyrene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H12
Molecular Weight
132.20
Accurate Mass
132.0939
SMILES
CC(=C)c1ccc(C)cc1
InChI
InChI=1S/C10H12/c1-8(2)10-6-4-9(3)5-7-10/h4-7H,1H2,2-3H3
IUPAC
1-isopropenyl-4-methyl-benzene
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
Phenoxyethanol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C8 H10 O2
Molecular Weight
138.16
Accurate Mass
138.0681
SMILES
OCCOc1ccccc1
InChI
InChI=1S/C8H10O2/c9-6-7-10-8-4-2-1-3-5-8/h1-5,9H,6-7H2
IUPAC
2-phenoxyethanol
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
Styrene Glycol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C8 H10 O2
Molecular Weight
138.16
Accurate Mass
138.0681
SMILES
OCC(O)c1ccccc1
InChI
InChI=1S/C8H10O2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8-10H,6H2
IUPAC
1-phenylethane-1,2-diol
trans-beta-Methylstyrene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H10
Molecular Weight
118.18
Accurate Mass
118.0783
SMILES
C\C=C\c1ccccc1
InChI
InChI=1S/C9H10/c1-2-6-9-7-4-3-5-8-9/h2-8H,1H3/b6-2+
IUPAC
[(E)-prop-1-enyl]benzene
Storage Temperature
-18°C
Shipping Temperature
+20°C
Transport Restrictions
Air Excepted
Product Format
Mixture
Solvent
Toluene
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