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Bis(2-ethylhexyl) adipate

Catalog Number
ACM103231-4
CAS Number
103-23-1
Product Name
Bis(2-ethylhexyl) adipate
Structure
Category
Plastic Additives; Plasticizers
Synonyms
Adipic acid di(2-ethylhexyl) ester, DOA
Description
Bis(2-ethylhexyl) adipate is a colorless to straw-colored liquid with a mild odor. Floats on water. (USCG, 1999);Liquid; PelletsLargeCrystals; WetSolid;Liquid;COLOURLESS-TO-YELLOW LIQUID.;Clear colourless liquid; Slight fatty aroma
IUPAC Name
bis(2-ethylhexyl) hexanedioate
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
175 °C
Melting Point
-67°C
Flash Point
196°C
Purity
98%
Density
0.928
Solubility
water, 0.78 mg/L @ 22 °C (exp)
Appearance
Colorless or light yellow oily liquid with special odour
Application
Bis(2-ethylhexyl) adipate, a colorless oily liquid also known as dioctyl adipate (DOA), serves the primary purpose of enhancing the impact properties of polymers by acting as a plasticizer. Its versatility is further demonstrated in the production of clear films for food packaging, where clarity and flexibility are crucial. Additionally, DOA finds use in the synthetic rubber industry, owing to its compatibility with nitrocellulose and ethylcellulose. As a diester formed from the formal condensation of adipic acid's carboxy groups with 2-ethylhexan-1-ol, it efficiently fulfills its role in preparing various polymeric materials.
Assay
0.98
Color/Form
COLORLESS OR VERY PALE AMBER LIQ;Light colored, oily liquid.
Complexity
320
Covalently-Bonded Unit Count
1
EC Number
203-090-1;615-074-5
Exact Mass
370.30831g/mol
Formal Charge
0
Heat of Vaporization
1.2542X10+8 J/kmol at -111.66 °C
Heavy Atom Count
26
ICSC Number
1292
Log P
8.1 (calculated)
MDL Number
MFCD00009496
MeSH Entry Terms
adipic acid, dioctyl ester;DEHA;DEHA compound;di-2-ethyl-hexyl adipate;diethylhexyl adipate;diethylhexyladipate;dioctyl adipate
Monoisotopic Mass
370.30831g/mol
NSC Number
56775
Odor
SLIGHT AROMATIC SMELL;Odorless;Mild
Other Experimental
Pour point: -75 °C;VAPOR PRESSURE: 2.4 MM HG @ 200 °C;Henry's Law constant= 4.34X10-7 atm-cu m/mole @ 20 °C;Wt/gal: 7.71 lb (20 °C)
Packaging
1 kg
Refractive Index
1.446-1.448
Rotatable Bond Count
19
RTECS Number
AU9700000
Stability
Stable. Incompatible with oxidizing agents, water, nitrates.
Storage Conditions
2-8°C
UNII
MBY1SL921L
UN Number
3082
Vapor Density
12.8 (NTP, 1992) (Relative to Air);12.8 (Air= 1);Relative vapor density (air = 1): 12.8
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
Viscosity
13.7 cP @ 20 °C;12.4 mm2/s at 25 °C
XLogP3
6.8
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