Bis(2-ethylhexyl) adipate - CAS 103-23-1

Catalog:	BB001054
Product Name:	Bis(2-ethylhexyl) adipate
CAS:	103-23-1
Synonyms:	Di(2-ethylhexyl) adipate; Diethylhexyl adipate; Plastomoll DOA; Bisoflex DOA
Application:	Used as a plasticizer, in processing polyvinyl and other polymers, as a solvent, in aircraft lubricants, and in hydraulic fluids.

Technical Data

IUPAC Name:	bis(2-ethylhexyl) hexanedioate
Description:	Bis(2-ethylhexyl) adipate is used as a plasticizer for flexible vinyl food wraps and as a solvent for aircraft lubricants.
Molecular Weight:	370.57
Molecular Formula:	C22H42O4
Canonical SMILES:	CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC
InChI:	InChI=1S/C22H42O4/c1-5-9-13-19(7-3)17-25-21(23)15-11-12-16-22(24)26-18-20(8-4)14-10-6-2/h19-20H,5-18H2,1-4H3
InChI Key:	SAOKZLXYCUGLFA-UHFFFAOYSA-N
Boiling Point:	214 °C / 5 mmHg
Melting Point:	-67°C
Flash Point:	384.8 °F
Purity:	> 98.0 % (GC)
Density:	0.925 g/mL at 20 °C(lit.)
Solubility:	water, 0.78 mg/L @ 22 °C (exp)
Appearance:	Colorless to almost colorless clear liquid
Storage:	2-8°C
Decomposition:	When heated to decomposition it emits acrid smoke and irritating fumes
MDL:	MFCD00009496
LogP:	6.06600
pH:	Acidity: 0.25 (meg/100 gm. max)
Refractive Index:	n20/D 1.447 (lit.)
Stability:	Stable. Incompatible with oxidizing agents, water, nitrates.
Vapor Pressure:	less than 0.01 mm Hg at 68 °F ; 2.6 mm Hg at 392° F (NTP, 1992);8.50e-07 mmHg;8.5X10-7 mm Hg at 20 °C;Vapor pressure, kPa at 20 °C: 0.11

Publication Number	Title	Priority Date
WO-2021127128-A1	Two part curable compositions	20191220
US-2021190742-A1	Intelligent compositions, packaging, and methods thereof	20191219
WO-2021123922-A1	Intelligent compositions, packaging, and methods thereof	20191219
WO-2021124033-A1	Two-part compositions including a uretdione-containing material and inorganic filler, products, and methods	20191219
WO-2021124075-A1	Polymeric material including a uretdione-containing material and inorganic filler, two-part compositions, products, and methods	20191219

PMID	Publication Date	Title	Journal
26854921	20160401	Mechanism of diethylhexylphthalate (DEHP) induced testicular damage and of grape seed extract-induced protection in the rat	Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association
22947618	20121015	A generic emission model to predict release of organic substances from materials in consumer goods	The Science of the total environment
22792086	20120101	Plasticizers May Activate Human Hepatic Peroxisome Proliferator-Activated Receptor α Less Than That of a Mouse but May Activate Constitutive Androstane Receptor in Liver	PPAR research
21764421	20110901	Beyond phthalates: gas phase concentrations and modeled gas/particle distribution of modern plasticizers	The Science of the total environment
21575223	20110516	Exposure to phthalates among premenstrual girls from rural and urban Gharbiah, Egypt: a pilot exposure assessment study	Environmental health : a global access science source

Complexity:	320
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	370.30830982
Formal Charge:	0
Heavy Atom Count:	26
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	370.30830982
Rotatable Bond Count:	19
Topological Polar Surface Area:	52.6 Å²
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0
XLogP3:	6.8