Product Name

  • Name

    Bis(2-ethylhexyl) adipate

  • EINECS 203-090-1
  • CAS No. 103-23-1
  • Article Data7
  • CAS DataBase
  • Density 0.928 g/cm3
  • Solubility Immiscible with water
  • Melting Point -67 °C
  • Formula C22H42O4
  • Boiling Point 374.4 °C at 760 mmHg
  • Molecular Weight 370.573
  • Flash Point 168.9 °C
  • Transport Information UN 1230 3/PG 2
  • Appearance colorless or light yellow oily liquid with special odour
  • Safety 26-45-36/37
  • Risk Codes 36/38-40-39/23/24/25
  • Molecular Structure Molecular Structure of 103-23-1 (Bis(2-ethylhexyl) adipate)
  • Hazard Symbols IrritantXi,HarmfulXn,ToxicT
  • Synonyms Adipicacid, bis(2-ethylhexyl) ester (6CI,7CI,8CI);Hexanedioic acid,bis(2-ethylhexyl) ester (9CI);ADO (lubricating oil);Adimoll DO;Adipol2EH;Arlamol DOA;Bisoflex DOA;Crodamol DOA;DOA;Dermol DOA;Di(2-ethylhexyl) adipate;Diacizer DOA;Diethylhexyl adipate;Effomoll DA;Effomoll DOA;Ergoplast AdDO;Flexol A 26;Hatcol2908;Jayflex DOA 2;K 3220;Kodaflex DOA;Lankroflex DOA;Monoplex DOA;NSC56775;Octyl adipate;Plasthall DOA;Plastomoll DOA;Reomol DOA;SP 100(solvent);Sansocizer DOA;Vistone A 10;
  • PSA 52.60000
  • LogP 6.06600

Synthetic route

Adipic acid
124-04-9

Adipic acid

2-Ethylhexyl alcohol
104-76-7

2-Ethylhexyl alcohol

di(2-ethylhexyl)adipate
103-23-1

di(2-ethylhexyl)adipate

Conditions
ConditionsYield
With triflic acid on silica-encapsulated superparamagnetic iron oxide nanoparticles In neat (no solvent) at 90℃; for 0.333333h; Catalytic behavior; Time; Reagent/catalyst; Flow reactor; Green chemistry;96%
In 5,5-dimethyl-1,3-cyclohexadiene at 160℃; for 2h;90%
With Candida antarctica lipase B In cyclohexane at 45℃; for 24h;66%
With sulfuric acid; benzene
Adipic acid
124-04-9

Adipic acid

2-Ethylhexyl alcohol
104-76-7

2-Ethylhexyl alcohol

A

di(2-ethylhexyl)adipate
103-23-1

di(2-ethylhexyl)adipate

B

bis(1-hexyl-4-ethyloctyl) adipate

bis(1-hexyl-4-ethyloctyl) adipate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: hydrogenchloride / water / 4 h / Reflux
2: 20 h / 200 - 210 °C / Dean-Stark
View Scheme
Adipic acid
124-04-9

Adipic acid

2-Ethylhexyl alcohol
104-76-7

2-Ethylhexyl alcohol

A

adipic acid mono-2-ethylhexyl ester
4337-65-9

adipic acid mono-2-ethylhexyl ester

B

di(2-ethylhexyl)adipate
103-23-1

di(2-ethylhexyl)adipate

Conditions
ConditionsYield
With hydrogenchloride In water for 4h; Reflux;A 49 %Chromat.
B 46 %Chromat.
adipic acid mono-2-ethylhexyl ester
4337-65-9

adipic acid mono-2-ethylhexyl ester

10-ethyl-7-tetradecanol

10-ethyl-7-tetradecanol

A

di(2-ethylhexyl)adipate
103-23-1

di(2-ethylhexyl)adipate

B

bis(1-hexyl-4-ethyloctyl) adipate

bis(1-hexyl-4-ethyloctyl) adipate

C

C28H54O4

C28H54O4

Conditions
ConditionsYield
at 200 - 210℃; for 20h; Dean-Stark;A 22 %Chromat.
B 15 %Chromat.
C 62 %Chromat.
di(2-ethylhexyl)adipate
103-23-1

di(2-ethylhexyl)adipate

aniline
62-53-3

aniline

N-phenylazepane
40832-99-3

N-phenylazepane

Conditions
ConditionsYield
With methanesulfonic acid; hydrogen; tris(acetylacetonato)ruthenium(III); [2-((diphenylphospino)methyl)-2-methyl-1,3-propanediyl]bis[diphenylphosphine] In 1,4-dioxane at 220℃; under 7500.75 Torr; for 42h;80 %Chromat.
di(2-ethylhexyl)adipate
103-23-1

di(2-ethylhexyl)adipate

A

2-octyl-cyclopentanone
40566-23-2

2-octyl-cyclopentanone

B

C15H26O3

C15H26O3

C

Oxalic acid, cyclohexylmethyl octyl ester

Oxalic acid, cyclohexylmethyl octyl ester

D

C18H32O5

C18H32O5

E

5-Methyl-4-methylene-hexahydro-pentalen-1-one
120587-85-1

5-Methyl-4-methylene-hexahydro-pentalen-1-one

F

2-cyclopentylidenecyclopentan-1-one
825-25-2

2-cyclopentylidenecyclopentan-1-one

Conditions
ConditionsYield
at 300℃; for 2h; Temperature; Pyrolysis; Autoclave;

Bis(2-ethylhexyl) adipate Consensus Reports

IARC Cancer Review: Group 3 IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 (1987),p. 56.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal Limited Evidence IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 29 (1982),p. 257.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) . NTP Carcinogenesis Bioassay (feed); Clear Evidence: mouse NTPTR*    National Toxicology Program Technical Report Series. (Research Triangle Park, NC 27709) NTP-TR-212 ,1982. ; No Evidence: rat NTPTR*    National Toxicology Program Technical Report Series. (Research Triangle Park, NC 27709) NTP-TR-212 ,1982. . Community Right-To-Know List. Reported in EPA TSCA Inventory.

Bis(2-ethylhexyl) adipate Specification

The Adipic acid bis(2-ethylhexyl) ester, with the CAS registry number 103-23-1, has the IUPAC name of bis(2-ethylhexyl) hexanedioate. Being a kind of colorless or light yellow oily liquid with special odour, it is stable chemically while incompatible with oxidizing agents, water, nitrates, and it is soluble in most organic solvents but insoluble in water. In addition, its product categories are including Industrial/Fine Chemicals; Adipate (Environmental Endocrine Disruptors); Environmental Endocrine Disruptors; Analytical Chemistry; Fatty Acid Esters (Plasticizer); Functional Materials.

The characteristics of this chemical are as below: (1)ACD/LogP: 8.10; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.1; (4)ACD/LogD (pH 7.4): 8.1; (5)ACD/BCF (pH 5.5): 845108.19; (6)ACD/BCF (pH 7.4): 845108.19; (7)ACD/KOC (pH 5.5): 608209; (8)ACD/KOC (pH 7.4): 608209; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 19; (12)Polar Surface Area: 52.6; (13)Index of Refraction: 1.45; (14)Molar Refractivity: 107.43 cm3; (15)Molar Volume: 399.4 cm3; (16)Polarizability: 42.59×10-24 cm3; (17)Surface Tension: 32.2 dyne/cm; (18)Density: 0.927 g/cm3; (19)Flash Point: 168.9 °C; (20)Enthalpy of Vaporization: 62.18 kJ/mol; (21)Boiling Point: 374.4 °C at 760 mmHg; (22)Vapour Pressure: 8.35E-06 mmHg at 25°C; (23)Exact Mass: 370.30831; (24)MonoIsotopic Mass: 370.30831; (25)Topological Polar Surface Area: 52.6; (26)Heavy Atom Count: 26; (27)Complexity: 320.

Adipic acid bis(2-ethylhexyl) ester is widely applied in many ways. It can be used as the plasticizerfor for various resin especially vinyl copolymer and polyvinyl chloride (PVC), and also used as the materials of aviation grease.

When you are dealing with this chemical, you should be more cautious. For one thing, it is irritating to eyes and skin and may cause inflammation to the skin or other mucous membranes. For another thing, it is harmful which may cause damage to health. In addition, it is toxic which may at low levels cause damage to health, and it may have danger of very serious irreversible effects through inhalation, in contact with skin and if swallowed. Besides, it will have limited evidence of a carcinogenic effect.

Therefore, you should take different measures to deal with different cases. Wear suitable protective clothing and gloves. If in case of contact with eyes, rinse immediately with plenty of water and seek medical advice, and if in case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

In adddition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC
(2)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
(3)InChIKey: SAOKZLXYCUGLFA-UHFFFAOYSA-N 

Below are the toxicity information of this chemical:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 oral 15gm/kg (15000mg/kg)   International Polymer Science and Technology. Vol. 3, Pg. 93, 1976.
mouse LD50 intraperitoneal > 100gm/kg (100000mg/kg)   Toxicology and Applied Pharmacology. Vol. 32, Pg. 566, 1975.
 
mouse LD50 oral 15gm/kg (15000mg/kg)   Journal of the American College of Toxicology. Vol. 3(3), Pg. 101, 1984.
rabbit LD50 intravenous 540mg/kg (540mg/kg)   U.S. Army, Chemical Corps Medical Laboratories Research Reports. Vol. #256, Pg. 1954,
rabbit LD50 skin 16mL/kg (16mL/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951.
rat LD50 intraperitoneal > 50mL/kg (50mL/kg)   Journal of Pharmaceutical Sciences. Vol. 62, Pg. 1596, 1973.
 
rat LD50 intravenous 900mg/kg (900mg/kg)   U.S. Army, Chemical Corps Medical Laboratories Research Reports. Vol. #256, Pg. 1954,
rat LD50 oral 9100mg/kg (9100mg/kg)   Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 2, Pg. 29, 1975.

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