dioctyl adipate
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IUPAC name :bis(2-ethylhexyl) hexanedioate
InChI :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
InChIKey :SAOKZLXYCUGLFA-UHFFFAOYAQ
SMILES :CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC
cas number :103-23-1
(EINECS) number :203-090-1
beilstein number :1803774
molar refractivity :107.43 ± 0.3 cm3
parachor :951.6 ± 4.0 cm3
index of refraction :1.450 ± 0.02
surface tension :32.2 ± 3.0 dyne/cm
density :0.927 ± 0.06 g/cm3
polarizability :42.59 ± 0.5 10-24cm3
XlogP : 6.80
molecular weight : 370.5664800 (IUPAC)
formula :C22 H42 O4
BioActivity Analysis :48413761
NMR Predictor :Predict
 
 
export tariff code :2917.12.5000
fda reg :unspecified

Suppliers :
Inoue :DIOCTYL ADIPATE
SAFC Global® :Bis(2-ethylhexyl) adipate
≥99%
Tokyo Chemical Industry :Bis(2-ethylhexyl) Adipate
>98.0%(GC)
Unitex :UNIPLEX 125-A
99.0% minimum
Vigon :Dioctyl Adipate

organoleptics :

properties :
appearence :colorless to pale yellow clear liquid
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.99000 @ 25.00 °C.
refractive index :1.44700 @ 20.00 °C.
melting point : -67.00 °C. @ 760.00 mm Hg
boiling point : 416.00 to 418.00 °C. @ 760.00 mm Hg
boiling point : 166.00 to 168.00 °C. @ 1.00 mm Hg
flash point : 336.00  °F.  TCC  ( 168.89 °C. )
logP (o/w) : 6.11

safety :
most important hazard(s) :Xi - Irritant
  R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 37/39 - Wear suitable gloves and eye/face protection.
Oral Toxicity(LD50) : 
  Oral-Rat    9100.00  mg/kg

intravenous-Rat    900.00  mg/kg

Intraperitoneal-Rat    >50.00  ml/kg

intravenous-Rabbit    540.00  mg/kg

Oral-Mouse    15000.00  mg/kg

Intraperitoneal-Mouse    >100.00  mg/kg

Dermal Toxicity(LD50) : 
  Skin-Rabbit  16.00  ml/kg

Inhalation Toxicity(LC50) : 
  Not determined
 

safety in use :
Category :solvents/deluents for cosmetic, flavor and/or fragrance agents
 
recommendation for dioctyl adipate fragrance usage levels up to :
 not for fragrance use.
recommendation for dioctyl adipate flavor usage levels up to :
 not for flavor use.

safety references :
EPI System :view
EPA-Iris :IRIS
NIOSH International Chemical Safety Cards :search
NLM Hazardous Substances Data Bank :search
Chemical Carcinogenesis Research Information System :Search
Cancer Citations :Search
Toxicology Citations :Search
Carcinogenic Potency Database :Search
EPA GENetic TOXicology :Search
Env. Mutagen Info. Center :Search
NLM Developmental and Reproductive Toxicity :Search
National Toxicology Program :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :1
 
 
 
 
bis(2-ethylhexyl) hexanedioate
(EINECS) number :203-090-1
RTECS :103-23-1
chemidplus :000103231
EPA/NOAA CAMEO :hazardous materials
EPA Substance Registry Services :103-23-1
dtp/nci :56775

references :
 
bis(2-ethylhexyl) hexanedioate
NIST Chemistry WebBook :629048330
pubchem :150722

Cosmetics :
Cosmetic uses : emollients
film formers
plasticisers
skin conditioning
solvents

other :
CosIng :cosmetic data
Household Products : Search
synonyms :
 adimoll DO
 adipic acid bis(2-ethyl hexyl) ester
 arlamol DOA
 bisoflex DOA
 crodamol DOA
 di(2-ethyl hexyl) adipate
 diethyl hexyl adipate
 dioctyl adipate
 effomoll DOA
 ergoplast ADDO
bis(2-ethyl hexyl) adipate
bis(2-ethyl hexyl) hexane dioate
bis(2-ethylhexyl) hexanedioate
 flexol A 26
 hatcol 2908
 hexane dioic acid bis(2-ethyl hexyl) ester
 jayflex DOA 2
 kodaflex DOA
 lankroflex DOA
 monoplex DOA
 morflex 310
 octyl adipate
 plasthall DOA
 plastomoll DOA
 reomol DOA
 sansocizer DOA
 staflex DOA
 truflex DOA
 vestinol OA
 vistone A 10
 wickenol 158
 witamol 320

soluble in :
 alcohol
 water, 0.78 mg/L @ 22C

insoluble in :
 water

potential uses :
 emollients
 film formers
 plasticisers
 skin conditioning
 solvents

natural occurrence in :    note
 not found in nature  

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