SN/T 3147-2012 Phthalates Mixture 567 1000-5000 µg/mL in Methanol
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产品信息
分析物数据
分析物名称
浓度
CAS登记号
分子结构
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Diisononyl Phthalate (mixture of branched chain isomers)
5000.0 μg/mL
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CAS登记号
备用CAS登记号
无标签CAS登记号
分子式
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分子量
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精确质量测定
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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
精确质量测定
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
精确质量测定
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
精确质量测定
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
Diisononyl Phthalate (mixture of branched chain isomers)
精确质量测定
418.31
SMILES
O=C(OCCCCCCCCC)C1=C(C(OCCCCCCCCC)=O)C=CC=C1
InChI
InChI=1S/C26H42O4/c1-3-5-7-9-11-13-17-21-29-25(27)23-19-15-16-20-24(23)26(28)30-22-18-14-12-10-8-6-4-2/h15-16,19-20H,3-14,17-18,21-22H2,1-2H3
IUPAC
dinonyl phthalate
Phthalic acid, benzylbutyl ester
精确质量测定
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-2-ethoxyethyl ester
精确质量测定
310.1416
SMILES
CCOCCOC(=O)c1ccccc1C(=O)OCCOCC
InChI
InChI=1S/C16H22O6/c1-3-19-9-11-21-15(17)13-7-5-6-8-14(13)16(18)22-12-10-20-4-2/h5-8H,3-4,9-12H2,1-2H3
IUPAC
bis(2-ethoxyethyl) benzene-1,2-dicarboxylate
Phthalic acid, bis-2-ethylhexyl ester
精确质量测定
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-4-methyl-2-pentyl ester
精确质量测定
334.2144
SMILES
CC(C)CC(C)OC(=O)c1ccccc1C(=O)OC(C)CC(C)C
InChI
InChI=1S/C20H30O4/c1-13(2)11-15(5)23-19(21)17-9-7-8-10-18(17)20(22)24-16(6)12-14(3)4/h7-10,13-16H,11-12H2,1-6H3
IUPAC
bis(4-methylpentan-2-yl) benzene-1,2-dicarboxylate
Phthalic acid, bis-allyl ester
精确质量测定
246.0892
SMILES
C=CCOC(=O)c1ccccc1C(=O)OCC=C
InChI
InChI=1S/C14H14O4/c1-3-9-17-13(15)11-7-5-6-8-12(11)14(16)18-10-4-2/h3-8H,1-2,9-10H2
IUPAC
bis(prop-2-enyl) benzene-1,2-dicarboxylate
Phthalic acid, bis-cyclohexyl ester
精确质量测定
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
精确质量测定
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
精确质量测定
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
精确质量测定
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-isodecyl ester
精确质量测定
446.6624
Phthalic acid, bis-isopropylester
精确质量测定
250.1205
SMILES
CC(C)OC(=O)c1ccccc1C(=O)OC(C)C
InChI
InChI=1S/C14H18O4/c1-9(2)17-13(15)11-7-5-6-8-12(11)14(16)18-10(3)4/h5-10H,1-4H3
IUPAC
dipropan-2-yl benzene-1,2-dicarboxylate
Phthalic acid, bis-methyl ester
精确质量测定
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
精确质量测定
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
精确质量测定
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-nonyl ester
精确质量测定
418.3083
SMILES
CCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCC
InChI
InChI=1S/C26H42O4/c1-3-5-7-9-11-13-17-21-29-25(27)23-19-15-16-20-24(23)26(28)30-22-18-14-12-10-8-6-4-2/h15-16,19-20H,3-14,17-18,21-22H2,1-2H3
IUPAC
dinonyl benzene-1,2-dicarboxylate
Phthalic acid, bis-phenyl ester
精确质量测定
318.0892
SMILES
O=C(Oc1ccccc1)c2ccccc2C(=O)Oc3ccccc3
InChI
InChI=1S/C20H14O4/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/h1-14H
IUPAC
diphenyl benzene-1,2-dicarboxylate
Phthalic acid, bis-propyl ester
精确质量测定
250.1205
SMILES
CCCOC(=O)c1ccccc1C(=O)OCCC
InChI
InChI=1S/C14H18O4/c1-3-9-17-13(15)11-7-5-6-8-12(11)14(16)18-10-4-2/h5-8H,3-4,9-10H2,1-2H3
IUPAC
dipropyl benzene-1,2-dicarboxylate
Phthalic acid,bis-butoxyethyl ester
精确质量测定
366.2042
SMILES
CCCCOCCOC(=O)c1ccccc1C(=O)OCCOCCCC
InChI
InChI=1S/C20H30O6/c1-3-5-11-23-13-15-25-19(21)17-9-7-8-10-18(17)20(22)26-16-14-24-12-6-4-2/h7-10H,3-6,11-16H2,1-2H3
IUPAC
bis(2-butoxyethyl) benzene-1,2-dicarboxylate
Phthalic acid,bis-n-heptyl ester
精确质量测定
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
产品数据
存储温度
-18 °C
运输温度
+20°C
原产国
UNITED STATES
产品形式
Mixture
溶剂
Methanol
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