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
Canonical 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 ℃ / 6.5 mmHg
Melting Point
-1 ℃
Flash Point
124 ℃ (C.C)
Purity
99%
Density
0.965 g/mL (25 ℃)
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)

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
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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