Bis(2-ethylhexyl) adipate

Product Information

Molecular Formula:
C22H42O4
Molecular Weight:
370.57
Description
Bis(2-ethylhexyl) adipate is used as a plasticizer for flexible vinyl food wraps and as a solvent for aircraft lubricants.
Synonyms
Di(2-ethylhexyl) adipate; Diethylhexyl adipate; Plastomoll DOA; Bisoflex DOA
IUPAC Name
bis(2-ethylhexyl) hexanedioate
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 ℃ / 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
Application
Used as a plasticizer, in processing polyvinyl and other polymers, as a solvent, in aircraft lubricants, and in hydraulic fluids.
Storage
2-8°C
Refractive Index
n20/D 1.447 (lit.)
Stability
Stable. Incompatible with oxidizing agents, water, nitrates.
LogP
6.06600
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
Henry's Law Constant
4.34X10-7 atm-cu m/mole @ 20 °C
Decomposition
When heated to decomposition it emits acrid smoke and irritating fumes
Odor
SLIGHT AROMATIC SMELL

Safety Information

Hazards
H413:
May cause long-lasting harmful effects to aquatic life.
Precautionary Statement
P201, P202, P281, P308+P313, P332+P313, P405, and P501
Signal Word
Warning

Computed Properties

XLogP3
6.8
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
19
Exact Mass
370.30830982 g/mol
Monoisotopic Mass
370.30830982 g/mol
Topological Polar Surface Area
52.6Ų
Heavy Atom Count
26
Formal Charge
0
Complexity
320
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
2
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
WO-2021127128-A1 Two part curable compositions 2019-12-20
US-2021190742-A1 Intelligent compositions, packaging, and methods thereof 2019-12-19
WO-2021123922-A1 Intelligent compositions, packaging, and methods thereof 2019-12-19
WO-2021124033-A1 Two-part compositions including a uretdione-containing material and inorganic filler, products, and methods 2019-12-19
WO-2021124075-A1 Polymeric material including a uretdione-containing material and inorganic filler, two-part compositions, products, and methods 2019-12-19
WO-2021125118-A1 Stable composition comprising combination of specific ingredients 2019-12-18
WO-2021125069-A1 Composition comprising hyaluronic acid-based polyion complex particle 2019-12-17
WO-2021125071-A1 Bi-phase sun care composition 2019-12-17
WO-2021125304-A1 Sun care composition 2019-12-17
WO-2021124901-A1 Plasticizer for vinyl chloride resins, vinyl chloride resin composition, and molded article and wiring harness each using said vinyl chloride resin composition 2019-12-16

Literatures

PMID Publication Date Title Journal
26854921 2016-04-01 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
21575223 2011-05-16 Exposure to phthalates among premenstrual girls from rural and urban Gharbiah, Egypt: a pilot exposure assessment study Environmental health : a global access science source
21400322 2011-05-01 Migration of plasticizers phthalates, bisphenol A and alkylphenols from plastic containers and evaluation of risk Food additives & contaminants. Part A, Chemistry, analysis, control, exposure & risk assessment
21714626 2011-01-01 Analysis of phthalic acid diesters, monoester, and other plasticizers in polyvinyl chloride household products in Japan Journal of environmental science and health. Part A, Toxic/hazardous substances & environmental engineering
22346617 2011-01-01 Ionophore-based potentiometric sensors for the flow-injection determination of promethazine hydrochloride in pharmaceutical formulations and human urine Sensors (Basel, Switzerland)
20352652 2010-10-01 Simultaneous determination of phthalates and adipates in human serum using gas chromatography-mass spectrometry with solid-phase extraction Biomedical chromatography : BMC
19842066 2010-09-01 Bioactive secondary metabolites from a new terrestrial Streptomyces sp. TN262 Applied biochemistry and biotechnology
20681565 2010-09-01 Semivolatile endocrine-disrupting compounds in paired indoor and outdoor air in two northern California communities Environmental science & technology
20392686 2010-07-01 Dietary intake is associated with phthalate body burden in a nationally representative sample Environmental health perspectives
20414453 2010-04-16 PPARalpha: energy combustion, hypolipidemia, inflammation and cancer Nuclear receptor signaling
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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