Di isopropyl Adipate (DIPA)
Product Information
Molecular Formula
C12H22O4
Molecular Weight
230.3
Description
;
Synonyms
Adipic acid, diisopropyl ester;Hexanedioic acid, bis(1-methylethyl) ester;Hexanedioic acid, 1,6-bis(1-methylethyl) ester
IUPAC Name
dipropan-2-yl hexanedioate
SMILES
CC(C)OC(=O)CCCCC(=O)OC(C)C
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
Boiling Point
120 °C / 6.5 mmHg
Melting Point
-1 °C
Flash Point
124 °C (C.C)
Purity
99%
Density
0.965 g/mL (25 °C)
Solubility
water, 55.61 mg/L @ 25 °C (est)
Appearance
Colorless to Almost colorless clear liquid
Refractive Index
1.4220-1.4250
LogP
2.676 (est)
Related CAS
121879-14-9
Safety Information
Precautionary Statement
P262
Computed Properties
XLogP3
2.2
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
9
Exact Mass
230.15180918 g/mol
Monoisotopic Mass
230.15180918 g/mol
Topological Polar Surface Area
52.6Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
197
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-114146010-A | Anhydrous sunscreen gel containing oil-soluble sunscreen agent and preparation method thereof | 2021-12-31 |
| CN-114129467-A | Anti-aging composition for stabilizing high-concentration retinol stock solution and preparation method thereof | 2021-11-22 |
| CN-113876605-A | Preservative for fresh milk-containing baby cream, baby cream and preparation method of baby cream | 2021-11-04 |
| CN-113943186-A | Citrus sunscreen agent containing polyglutamic acid and sodium lignosulfonate and preparation method thereof | 2021-10-11 |
| JP-2021193141-A | Liquid composition containing lipid peptide | 2021-09-27 |
| CN-113575599-A | Mosquito-repellent incense liquid and preparation method thereof | 2021-08-26 |
| CN-113662893-A | Temperature-sensitive mask and preparation method thereof | 2021-08-20 |
| CN-113577263-A | Cationic nanoemulsion adjuvant capable of encapsulating antigen and preparation method and application thereof | 2021-07-21 |
| CN-113397992-A | Sunscreen composition and water-in-oil type emulsified cosmetic with sunscreen composition | 2021-07-12 |
| US-2021330667-A1 | Topical composition of nalbuphine and method for treating pruritus condition, pain, or inflammatory condition by using the same | 2021-07-07 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 23001333 | 2012-07-01 | 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 |
| 22030833 | 2012-05-01 | In vitro comparison of four treatments which discourage infestation by head lice | Parasitology research |
| 17659517 | 2007-01-01 | Iterative tandem catalysis of secondary diols and diesters to chiral polyesters | Chemistry (Weinheim an der Bergstrasse, Germany) |
| 16831530 | 2006-11-16 | Investigation of fatty acid esters to replace isopropyl myristate in the sterility test for ophthalmic ointments | Journal of pharmaceutical and biomedical analysis |
| 16497524 | 2006-11-01 | Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods | Journal of molecular graphics & modelling |
| 12476874 | 2002-11-01 | Effect of fatty acid diesters on permeation of anti-inflammatory drugs through rat skin | Drug development and industrial pharmacy |
| 11536204 | 2001-08-01 | Simultaneous optimization based on artificial neural networks in ketoprofen hydrogel formula containing O-ethyl-3-butylcyclohexanol as percutaneous absorption enhancer | Journal of pharmaceutical sciences |
| 11766136 | 2001-01-01 | Final report on the safety assessment of Stearamide DIBA-Stearate | International journal of toxicology |
