Dioctyl adipate

Dioctyl adipate

Names
Preferred IUPAC name Di(octyl) hexanedioate
Other names Di-n-octyl adipate
Identifiers
CAS Number	123-79-5  N
3D model (JSmol)	Interactive image
ChemSpider	29011  Y
ECHA InfoCard	100.004.231
EC Number	204-652-9
PubChem CID	31271
UNII	2BD76YG9SI  N
CompTox Dashboard (EPA)	DTXSID2021606
InChI 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 Y Key: NEHDRDVHPTWWFG-UHFFFAOYSA-N Y 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
SMILES O=C(OCCCCCCCC)CCCCC(=O)OCCCCCCCC
Properties
Chemical formula	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]
Solubility in water	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). N  verify  (what is  YN ?) Infobox references

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]}

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.