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Dioctyl Adipate

Catalog Number
ACM103231-2
Product Name
Dioctyl Adipate
Structure
CAS
103-23-1
Category
Plasticizers
Description
Lubricant liquid emollient for cosmetic applications. Can be used as a skin-conditioning agent in cosmetic and personal care applications and as a solvent for fragrance.
IUPAC Name
bis(2-ethylhexyl) hexanedioate
Molecular Weight
370.6g/mol
Molecular Formula
C22H42O4;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
783 °F at 760 mm Hg (NTP, 1992);417.0 °C;214 °C @ 5 mm Hg;417 °C
Melting Point
-90 °F (NTP, 1992);-67.8 °C;-67.8 °C;-67.8°C;-67.8 °C
Flash Point
385 °F (NTP, 1992);402 °F (206 °C) (OPEN CUP);196 °C c.c.
Density
0.923 (USCG, 1999);0.922 @ 25 °C/4 °C;Relative density (water = 1): 0.92;0.924-0.930 (20?°)
Solubility
Soluble in oils and ethyl acetate
Appearance
Clear liquid
Application
Skin and hair care products, color cosmetics
Storage
Store light-protected at a cool and dry place
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)
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)
Refractive Index
Index of refraction: 1.4474 @ 20 °C/D;1.444-1.450
Rotatable Bond Count
19
RTECS Number
AU9700000
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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