Bis(2-ethylhexyl) adipate

Source: Wikipedia, the free encyclopedia.
Bis(2-ethylhexyl) adipate
Names
Preferred IUPAC name
Bis(2-ethylhexyl) hexanedioate
Other names
DEHA; DOA, Di(2-ethylhexyl) adipate, dioctyl adipate (archaic)[1]
Identifiers
3D model (
JSmol
)
Abbreviations DEHA & DOA
ChEBI
ChEMBL
ChemSpider
ECHA InfoCard
100.002.810 Edit this at Wikidata
EC Number
  • 203-090-1
KEGG
RTECS number
  • AU9700000
UNII
UN number 3082
  • 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 checkY
    Key: SAOKZLXYCUGLFA-UHFFFAOYSA-N checkY
  • InChI=1/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
    Key: SAOKZLXYCUGLFA-UHFFFAOYAQ
  • O=C(OCC(CC)CCCC)CCCCC(=O)OCC(CCCC)CC
Properties
C22H42O4
Molar mass 370.574 g·mol−1
Appearance colourless oily liquid
Density 0.93 g/cm3
Melting point −67.8 °C (−90.0 °F; 205.3 K)
Boiling point 417 °C (783 °F; 690 K)
negligible
Vapor pressure 2.6 mm Hg at 200 °C
Hazards
Occupational safety and health (OHS/OSH):
Main hazards
Mildly toxic (for humans and animals)
Flash point 196 °C (385 °F; 469 K)
377 °C (711 °F; 650 K)
Lethal dose or concentration (LD, LC):
900 mg/kg (rat, oral)[2]
Safety data sheet (SDS) Oxford University
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
checkY verify (what is checkY☒N ?)

Bis(2-ethylhexyl) adipate or DEHA or DOA is an

diester of 2-ethylhexanol and adipic acid. It is a colorless oily
liquid.

DEHA is sometimes called "dioctyl adipate", incorrectly. Another name is di(2-ethylhexyl) adipate. The abbreviation DOA has been unfortunately used for both Bis(-2-ethylhexyl)-adipate and dioctyl adipate

Use

As well as related

decanol, isodecanol, etc., it is used as a plasticizer.[3]

DEHA is used as a

.

Toxicity

DEHA has very low toxicity. The

LD50 is estimated at 900 mg/kg (rat, i.v.).[3]

According to the

carcinogenicity to humans (Group 3)."[4][5]

References

  1. ^ Bis(2-ethylhexyl)adipate
  2. ^ DEHP toxicity
  3. ^ .
  4. ^ IARC - Summaries & Evaluations: DI(2-ETHYLHEXYL) ADIPATE, vol. 77, International Agency for Research on Cancer, 2000, p. 149, retrieved 20 December 2008
  5. ^ Inchem Preamble Evaluation, International Agency for Research on Cancer, 1 May 1999, retrieved 20 December 2008