Dioctyl adipate

Dioctyl adipate (DOA) is an organic compound with the formula (CH2CH2CO2C8H17)2. It is a colorless oily liquid . As well as related diesters derived from 2-ethylhexanol, decanol, isodecanol, etc., it is used as a plasticizer.[2][3]

Dioctyl adipate
Names
Preferred IUPAC name
Di(octyl) hexanedioate
Other names
Di-n-octyl adipate
Identifiers
3D model (JSmol)
ChemSpider
ECHA InfoCard 100.004.231
EC Number
  • 204-652-9
UNII
  • InChI=1S/C22H42O4/c1-3-5-7-9-11-15-19-25-21(23)17-13-14-18-22(24)26-20-16-12-10-8-6-4-2/h3-20H2,1-2H3 checkY
    Key: NEHDRDVHPTWWFG-UHFFFAOYSA-N checkY
  • InChI=1/C22H42O4/c1-3-5-7-9-11-15-19-25-21(23)17-13-14-18-22(24)26-20-16-12-10-8-6-4-2/h3-20H2,1-2H3
    Key: NEHDRDVHPTWWFG-UHFFFAOYAJ
  • O=C(OCCCCCCCC)CCCCC(=O)OCCCCCCCC
Properties
C22H42O4
Molar mass 370.574 g·mol−1
Appearance Colourless to yellowish liquid[1]
Density 0.98 g/mL[1]
Melting point −7.48 °C (18.54 °F; 265.67 K)[1]
Boiling point 404.84 °C (760.71 °F; 677.99 K)[1]
0.78 mg/L (22 °C)[1]
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
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Infobox references

DEHA is sometimes incorrectly called dioctyl adipate. The abbreviation DOA has also been used for bis(2-ethylhexyl) adipate (CAS # 103-23-1).

Toxicity

Esters of adipic acid exhibit low acute toxicities in animal models. The LD50 of the related ethylhexanoate is estimated at 900 mg/kg (rat, i.v.).[2]

References
  1. Record in the GESTIS Substance Database of the Institute for Occupational Safety and Health
  2. Musser, M. T. (2005). "Adipic Acid". Ullmann's Encyclopedia of Industrial Chemistry. Weinheim: Wiley-VCH. doi:10.1002/14356007.a01_269. ISBN 3527306730.
  3. "Dimethyl Adipate". chemicalland21.com.
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