CAS
94977-59-0 Purity
96%
94977-59-0 Purity
96%
![(Ethylenediamine-N)(1-imino-1H-isoindol-3-amine-n2)[29h,31H-phthalocyaninato-n29,n30,n31,n32]cobalt](https://resource.alfa-chemistry.com/structure/94979-20-1.gif)
Inquiry Basket
Isooctyl isotridecyl phthalate
CAS
94979-21-2
Catalog Number
ACM94979212
Category
Other Products
Molecular Weight
460.689020 [g/mol]
Molecular Formula
C29H48O4
If you have any other questions or need other size, please get a quote.
- Product Description
- Case Study
- Custom Reviews
- Custom Q&A
- Synthetic Use
- Related Resources
Specification
Synonyms
Isooctyl isotridecyl phthalate, EINECS 305-700-2, 94979-21-2
IUPAC Name
1-O-(11-methyldodecyl) 2-O-(6-methylheptyl) benzene-1,2-dicarboxylate
Canonical SMILES
CC(C)CCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCC(C)C
InChI Key
QFGMLZIZDZLELS-UHFFFAOYSA-N
EC Number
305-700-2
Exact Mass
460.35500
H-Bond Acceptor
4
H-Bond Donor
0
What is the molecular formula of Isooctyl isotridecyl phthalate?
The molecular formula of Isooctyl isotridecyl phthalate is C29H48O4.
When was Isooctyl isotridecyl phthalate created and modified in PubChem?
Isooctyl isotridecyl phthalate was created on August 20, 2009, and last modified on December 30, 2023.
What is the IUPAC name of Isooctyl isotridecyl phthalate?
The IUPAC name of Isooctyl isotridecyl phthalate is 1-O-(11-methyldodecyl) 2-O-(6-methylheptyl) benzene-1,2-dicarboxylate.
What is the InChI of Isooctyl isotridecyl phthalate?
The InChI of Isooctyl isotridecyl phthalate is InChI=1S/C29H48O4/c1-24(2)18-12-9-7-5-6-8-10-16-22-32-28(30)26-20-14-15-21-27(26)29(31)33-23-17-11-13-19-25(3)4/h14-15,20-21,24-25H,5-13,16-19,22-23H2,1-4H3.
What is the InChIKey of Isooctyl isotridecyl phthalate?
The InChIKey of Isooctyl isotridecyl phthalate is QFGMLZIZDZLELS-UHFFFAOYSA-N.
What is the Canonical SMILES representation of Isooctyl isotridecyl phthalate?
The Canonical SMILES representation of Isooctyl isotridecyl phthalate is CC(C)CCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCC(C)C.
What is the molecular weight of Isooctyl isotridecyl phthalate?
The molecular weight of Isooctyl isotridecyl phthalate is 460.7 g/mol.
How many hydrogen bond acceptor counts does Isooctyl isotridecyl phthalate have?
Isooctyl isotridecyl phthalate has 4 hydrogen bond acceptor counts.
What is the topological polar surface area of Isooctyl isotridecyl phthalate?
The topological polar surface area of Isooctyl isotridecyl phthalate is 52.6 Ų.
Is Isooctyl isotridecyl phthalate a canonicalized compound in PubChem?
Yes, Isooctyl isotridecyl phthalate is a canonicalized compound in PubChem.
Recommended Products
![[(5-Methyl-1,2-oxazole-3-carbonyl)amino]-pentylazanium chloride](https://resource.alfa-chemistry.com/structure/94980-63-9.gif)
CAS
94980-63-9 Purity
96%
94980-63-9 Purity
96%
