Phthalate Mixture 766 500 ug/mL in Hexane
Product Code
DRE-GS09000766HE
CAS Number
14 AnalytesProduct Format
Mixture
Solvent
n-Hexane
Product Categories
Alternate CAS Number
14 AnalytesDocumentation
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Product Information
Analyte Data
Analyte Name
Concentration
CAS Number
Molecular Structure
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Phthalic acid, bis-2-ethylhexyl ester
500 µg/mL
Phthalic acid, bis-iso-pentyl ester
500 µg/mL
Phthalic acid, bis-methylglycol ester
500 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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Di-n-octyl phthalate
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C24 H38 O4
Molecular Weight
390.56
Accurate Mass
390.277
SMILES
CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC
InChI
InChI=1S/C24H38O4/c1-3-5-7-9-11-15-19-27-23(25)21-17-13-14-18-22(21)24(26)28-20-16-12-10-8-6-4-2/h13-14,17-18H,3-12,15-16,19-20H2,1-2H3
IUPAC
dioctyl benzene-1,2-dicarboxylate
Dibutyl phthalate
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C16 H22 O4
Molecular Weight
278.34
Accurate Mass
278.1518
SMILES
CCCCOC(=O)c1ccccc1C(=O)OCCCC
InChI
InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3
IUPAC
dibutyl benzene-1,2-dicarboxylate
Diethyl phthalate
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H14 O4
Molecular Weight
222.24
Accurate Mass
222.0892
SMILES
CCOC(=O)c1ccccc1C(=O)OCC
InChI
InChI=1S/C12H14O4/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2/h5-8H,3-4H2,1-2H3
IUPAC
diethyl benzene-1,2-dicarboxylate
Phthalic acid, benzylbutyl ester
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C19 H20 O4
Molecular Weight
312.36
Accurate Mass
312.1362
SMILES
CCCCOC(=O)c1ccccc1C(=O)OCc2ccccc2
InChI
InChI=1S/C19H20O4/c1-2-3-13-22-18(20)16-11-7-8-12-17(16)19(21)23-14-15-9-5-4-6-10-15/h4-12H,2-3,13-14H2,1H3
IUPAC
2-O-benzyl 1-O-butyl benzene-1,2-dicarboxylate
Phthalic acid, bis undecyl ester
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C30 H50 O4
Molecular Weight
474.72
Accurate Mass
474.3709
SMILES
CCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCC
InChI
InChI=1S/C30H50O4/c1-3-5-7-9-11-13-15-17-21-25-33-29(31)27-23-19-20-24-28(27)30(32)34-26-22-18-16-14-12-10-8-6-4-2/h19-20,23-24H,3-18,21-22,25-26H2,1-2H3
IUPAC
diundecyl benzene-1,2-dicarboxylate
Phthalic acid, bis-2-ethylhexyl ester
CAS Number
Alternate CAS Number
Unlabelled CAS Number
-
Molecular Formula
C24 H38 O4
Molecular Weight
390.56
Accurate Mass
390.277
SMILES
CCCCC(CC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC
InChI
InChI=1S/C24H38O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3
IUPAC
bis(2-ethylhexyl) benzene-1,2-dicarboxylate
Phthalic acid, bis-cyclohexyl ester
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C20 H26 O4
Molecular Weight
330.42
Accurate Mass
330.1831
SMILES
O=C(OC1CCCCC1)c2ccccc2C(=O)OC3CCCCC3
InChI
InChI=1S/C20H26O4/c21-19(23-15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(22)24-16-11-5-2-6-12-16/h7-8,13-16H,1-6,9-12H2
IUPAC
dicyclohexyl benzene-1,2-dicarboxylate
Phthalic acid, bis-hexyl ester
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C20 H30 O4
Molecular Weight
334.45
Accurate Mass
334.2144
SMILES
CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC
InChI
InChI=1S/C20H30O4/c1-3-5-7-11-15-23-19(21)17-13-9-10-14-18(17)20(22)24-16-12-8-6-4-2/h9-10,13-14H,3-8,11-12,15-16H2,1-2H3
IUPAC
dihexyl benzene-1,2-dicarboxylate
Phthalic acid, bis-iso-butyl ester
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C16 H22 O4
Molecular Weight
278.34
Accurate Mass
278.1518
SMILES
CC(C)COC(=O)c1ccccc1C(=O)OCC(C)C
InChI
InChI=1S/C16H22O4/c1-11(2)9-19-15(17)13-7-5-6-8-14(13)16(18)20-10-12(3)4/h5-8,11-12H,9-10H2,1-4H3
IUPAC
bis(2-methylpropyl) benzene-1,2-dicarboxylate
Phthalic acid, bis-iso-pentyl ester
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C18 H26 O4
Molecular Weight
306.40
Accurate Mass
306.1831
SMILES
CC(C)CCOC(=O)c1ccccc1C(=O)OCCC(C)C
InChI
InChI=1S/C18H26O4/c1-13(2)9-11-21-17(19)15-7-5-6-8-16(15)18(20)22-12-10-14(3)4/h5-8,13-14H,9-12H2,1-4H3
IUPAC
bis(3-methylbutyl) benzene-1,2-dicarboxylate
Phthalic acid, bis-methyl ester
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H10 O4
Molecular Weight
194.18
Accurate Mass
194.0579
SMILES
COC(=O)c1ccccc1C(=O)OC
InChI
InChI=1S/C10H10O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h3-6H,1-2H3
IUPAC
dimethyl benzene-1,2-dicarboxylate
Phthalic acid, bis-methylglycol ester
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C14 H18 O6
Molecular Weight
282.29
Accurate Mass
282.1103
SMILES
COCCOC(=O)c1ccccc1C(=O)OCCOC
InChI
InChI=1S/C14H18O6/c1-17-7-9-19-13(15)11-5-3-4-6-12(11)14(16)20-10-8-18-2/h3-6H,7-10H2,1-2H3
IUPAC
bis(2-methoxyethyl) benzene-1,2-dicarboxylate
Phthalic acid, bis-n-pentyl ester
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C18 H26 O4
Molecular Weight
306.40
Accurate Mass
306.1831
SMILES
CCCCCOC(=O)c1ccccc1C(=O)OCCCCC
InChI
InChI=1S/C18H26O4/c1-3-5-9-13-21-17(19)15-11-7-8-12-16(15)18(20)22-14-10-6-4-2/h7-8,11-12H,3-6,9-10,13-14H2,1-2H3
IUPAC
dipentyl benzene-1,2-dicarboxylate
Phthalic acid,bis-n-heptyl ester
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C22 H34 O4
Molecular Weight
362.50
Accurate Mass
362.2457
SMILES
CCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC
InChI
InChI=1S/C22H34O4/c1-3-5-7-9-13-17-25-21(23)19-15-11-12-16-20(19)22(24)26-18-14-10-8-6-4-2/h11-12,15-16H,3-10,13-14,17-18H2,1-2H3
IUPAC
diheptyl benzene-1,2-dicarboxylate
Product Data
Storage Temperature
-18°C
Shipping Temperature
Room Temperature
Country of Origin
UNITED STATES
Transport Restrictions
Air Excepted
Product Format
Mixture
Solvent
n-Hexane
