Home Other Building Blocks Diisopropyl adipate

Diisopropyl adipate

CAS No.:
6938-94-9
Catalog Number:
AG003PJP
Molecular Formula:
C12H22O4
Molecular Weight:
230.3007
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$33
- +
25g
98%
In Stock USA
United States
$54
- +
100g
98%
In Stock USA
United States
$87
- +
500g
98%
In Stock USA
United States
$175
- +
Product Description
Catalog Number:
AG003PJP
Chemical Name:
Diisopropyl adipate
CAS Number:
6938-94-9
Molecular Formula:
C12H22O4
Molecular Weight:
230.3007
MDL Number:
MFCD00026391
IUPAC Name:
dipropan-2-yl hexanedioate
InChI:
InChI=1S/C12H22O4/c1-9(2)15-11(13)7-5-6-8-12(14)16-10(3)4/h9-10H,5-8H2,1-4H3
InChI Key:
ZDQWESQEGGJUCH-UHFFFAOYSA-N
SMILES:
CC(OC(=O)CCCCC(=O)OC(C)C)C
EC Number:
230-072-0
UNII:
P7E6YFV72X
NSC Number:
56587
FEMA Number:
4474
Properties
Complexity:
197  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.152g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.304g/mol
Monoisotopic Mass:
230.152g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Literature
Title Journal
Photocarcinogenesis study of retinoic acid and retinyl palmitate [CAS Nos. 302-79-4 (All-trans-retinoic acid) and 79-81-2 (All-trans-retinyl palmitate)] in SKH-1 mice (Simulated Solar Light and Topical Application Study). National Toxicology Program technical report series 20120701
In vitro comparison of four treatments which discourage infestation by head lice. Parasitology research 20120501
Iterative tandem catalysis of secondary diols and diesters to chiral polyesters. Chemistry (Weinheim an der Bergstrasse, Germany) 20070101
Investigation of fatty acid esters to replace isopropyl myristate in the sterility test for ophthalmic ointments. Journal of pharmaceutical and biomedical analysis 20061116
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods. Journal of molecular graphics & modelling 20061101
Effect of fatty acid diesters on permeation of anti-inflammatory drugs through rat skin. Drug development and industrial pharmacy 20021101
Simultaneous optimization based on artificial neural networks in ketoprofen hydrogel formula containing O-ethyl-3-butylcyclohexanol as percutaneous absorption enhancer. Journal of pharmaceutical sciences 20010801
Final report on the safety assessment of Stearamide DIBA-Stearate. International journal of toxicology 20010101
Properties