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Dioctyl adipate

February 28, 2023

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
  • 123-79-5 N
3D model (JSmol)
  • Interactive image
ChemSpider
  • 29011 Y
ECHA InfoCard 100.004.231
EC Number
  • 204-652-9
  • 31271
UNII
  • 2BD76YG9SI N
  • DTXSID2021606
  • 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
  • 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).
N verify (what is YN ?)

DEHA is sometimes incorrectly called dioctyl adipate.

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. ^ a b c d e Record in the GESTIS Substance Database of the Institute for Occupational Safety and Health
  2. ^ a b 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.

February 28, 2023
dioctyl, adipate, organic, compound, with, formula, ch2ch2co2c8h17, colorless, oily, liquid, well, related, diesters, derived, from, ethylhexanol, decanol, isodecanol, used, plasticizer, namespreferred, iupac, name, octyl, hexanedioateother, names, octyl, adip. 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 NamesPreferred IUPAC name Di octyl hexanedioateOther names Di n octyl adipateIdentifiersCAS Number 123 79 5 N3D model JSmol Interactive imageChemSpider 29011 YECHA InfoCard 100 004 231EC Number 204 652 9PubChem CID 31271UNII 2BD76YG9SI NCompTox Dashboard EPA DTXSID2021606InChI 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 YKey NEHDRDVHPTWWFG UHFFFAOYSA N YInChI 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 2H3Key NEHDRDVHPTWWFG UHFFFAOYAJSMILES O C OCCCCCCCC CCCCC O OCCCCCCCCPropertiesChemical formula C 22H 42O 4Molar mass 370 574 g mol 1Appearance 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 Y N Infobox references DEHA is sometimes incorrectly called dioctyl adipate Toxicity EditEsters 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 Edit a b c d e Record in the GESTIS Substance Database of the Institute for Occupational Safety and Health a b Musser M T 2005 Adipic Acid Ullmann s Encyclopedia of Industrial Chemistry Weinheim Wiley VCH doi 10 1002 14356007 a01 269 ISBN 3527306730 Dimethyl Adipate chemicalland21 com Retrieved from https en wikipedia org w index php title Dioctyl adipate amp oldid 1047719316, wikipedia, wiki, book, books, library,

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