CAS
7757-93-9 Purity
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7757-93-9 Purity
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Isopentyl pentyl phthalate
CAS
776297-69-9
Catalog Number
ACM776297699-1
Category
Other Products
Molecular Weight
306.4
Molecular Formula
C18H26O4
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Specification
Synonyms
N-Pentyl isopentyl phthalate
IUPAC Name
2-O-(3-Methylbutyl) 1-O-pentyl benzene-1,2-dicarboxylate
Canonical SMILES
CCCCCOC(=O)C1=CC=CC=C1C(=O)OCCC(C)C
InChI
InChI=1S/C18H26O4/c1-4-5-8-12-21-17(19)15-9-6-7-10-16(15)18(20)22-13-11-14(2)3/h6-7,9-10,14H,4-5,8,11-13H2,1-3H3
InChI Key
MCXWUHMDAJQKBI-UHFFFAOYSA-N
Boiling Point
337.5±10.0 °C
Density
1.029±0.06 g/cm3
Complexity
338
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
306.18310931
Formal Charge
0
Heavy Atom Count
22
Hydrogen Bond Acceptor Count
4
Hydrogen Bond Donor Count
0
Isotope Atom Count
0
Monoisotopic Mass
306.18310931
Rotatable Bond Count
11
Topological Polar Surface Area
52.6 Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
July 19, 2023
Commonly used plasticizers
Isopentyl pentyl phthalate is a commonly used plasticizer, plasticizing effect is good.
What is the molecular formula of isopentyl pentyl phthalate?
The molecular formula of isopentyl pentyl phthalate is C18H26O4.
What is the molecular weight of isopentyl pentyl phthalate?
The molecular weight of isopentyl pentyl phthalate is 306.4 g/mol.
What is the IUPAC name of isopentyl pentyl phthalate?
The IUPAC name of isopentyl pentyl phthalate is 2-O-(3-methylbutyl) 1-O-pentyl benzene-1,2-dicarboxylate.
What is the InChI of isopentyl pentyl phthalate?
The InChI of isopentyl pentyl phthalate is InChI=1S/C18H26O4/c1-4-5-8-12-21-17(19)15-9-6-7-10-16(15)18(20)22-13-11-14(2)3/h6-7,9-10,14H,4-5,8,11-13H2,1-3H3.
What is the InChIKey of isopentyl pentyl phthalate?
The InChIKey of isopentyl pentyl phthalate is MCXWUHMDAJQKBI-UHFFFAOYSA-N.
What is the canonical SMILES of isopentyl pentyl phthalate?
The canonical SMILES of isopentyl pentyl phthalate is CCCCCOC(=O)C1=CC=CC=C1C(=O)OCCC(C)C.
What is the CAS number of isopentyl pentyl phthalate?
The CAS number of isopentyl pentyl phthalate is 776297-69-9.
What is the European Community (EC) number of isopentyl pentyl phthalate?
The European Community (EC) number of isopentyl pentyl phthalate is 933-378-9.
What is the XLogP3 value of isopentyl pentyl phthalate?
The XLogP3 value of isopentyl pentyl phthalate is 5.7.
Is isopentyl pentyl phthalate a covalently-bonded unit?
Yes, isopentyl pentyl phthalate is a covalently-bonded unit.
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