CAS
93951-37-2 Purity
96%
93951-37-2 Purity
96%
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Decyl dodecyl trimethyladipate
CAS
93951-44-1
Catalog Number
ACM93951441
Category
Other Products
Molecular Weight
496.805700 [g/mol]
Molecular Formula
C31H60O4
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Specification
Synonyms
Decyl dodecyl trimethyladipate, EINECS 300-663-9, 93951-44-1
IUPAC Name
6-O-decyl 1-O-dodecyl 2,2,3-trimethylhexanedioate
Canonical SMILES
CCCCCCCCCCCCOC(=O)CCC(C)C(C)(C)C(=O)OCCCCCCCCCC
InChI Key
QBIBYVBOHBSHKR-UHFFFAOYSA-N
Boiling Point
471.6ºC at 760mmHg
Flash Point
208.3ºC
Density
0.907g/cm³
EC Number
300-663-9
Exact Mass
496.44900
H-Bond Acceptor
4
H-Bond Donor
0
What is the molecular formula of Decyl dodecyl trimethyladipate?
The molecular formula of Decyl dodecyl trimethyladipate is C31H60O4.
When was Decyl dodecyl trimethyladipate created and last modified?
Decyl dodecyl trimethyladipate was created on August 8, 2005, and last modified on December 30, 2023.
What is the IUPAC name of Decyl dodecyl trimethyladipate?
The IUPAC name of Decyl dodecyl trimethyladipate is 6-O-decyl 1-O-dodecyl 2,2,3-trimethylhexanedioate.
What is the InChIKey of Decyl dodecyl trimethyladipate?
The InChIKey of Decyl dodecyl trimethyladipate is QBIBYVBOHBSHKR-UHFFFAOYSA-N.
What is the Canonical SMILES representation of Decyl dodecyl trimethyladipate?
The Canonical SMILES representation of Decyl dodecyl trimethyladipate is CCCCCCCCCCCCOC(=O)C(C)(C)C(C)CCC(=O)OCCCCCCCCCC.
What is the molecular weight of Decyl dodecyl trimethyladipate?
The molecular weight of Decyl dodecyl trimethyladipate is 496.8 g/mol.
How many hydrogen bond acceptor counts does Decyl dodecyl trimethyladipate have?
Decyl dodecyl trimethyladipate has 4 hydrogen bond acceptor counts.
What is the topological polar surface area of Decyl dodecyl trimethyladipate?
The topological polar surface area of Decyl dodecyl trimethyladipate is 52.6 Ų.
How many rotatable bond counts does Decyl dodecyl trimethyladipate have?
Decyl dodecyl trimethyladipate has 27 rotatable bond counts.
Is Decyl dodecyl trimethyladipate a canonicalized compound?
Yes, Decyl dodecyl trimethyladipate is a canonicalized compound.
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