Diisodecyl phthalate Structure

Diisodecyl phthalate

Chemical Properties

Melting point 235°C
Boiling point 475.97°C (rough estimate)
Density  0.965 g/mL at 20 °C (lit.)
vapor pressure  0.1 hPa (20 °C)
refractive index  n20/D 1.486
Flash point 235 °C
storage temp.  Store below +30°C.
solubility  0.00028g/l
form  Oil
color  Colourless
Odor Faint.
Water Solubility  0.28mg/L(24 ºC)
BRN  2171889
Henry's Law Constant 8.9×100 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
InChI 1S/C28H46O4/c1-23(2)17-11-7-5-9-15-21-31-27(29)25-19-13-14-20-26(25)28(30)32-22-16-10-6-8-12-18-24(3)4/h13-14,19-20,23-24H,5-12,15-18,21-22H2,1-4H3
InChIKey ZVFDTKUVRCTHQE-UHFFFAOYSA-N
SMILES O(CCCCCCCC(C)C)C(=O)c1c(cccc1)C(=O)OCCCCCCCC(C)C
LogP 10.554 (est)
Surface tension 30.17mN/m at 293.15K
CAS DataBase Reference 26761-40-0(CAS DataBase Reference)
Indirect Additives used in Food Contact Substances DIISODECYL PHTHALATE
REACH Annex XVII Substances List Di-“isodecyl” phthalate (DIDP) (26761-40-0)
FDA 21 CFR 175.105; 175.300; 177.1210;177.2600; 178.3910
FDA UNII WF93T741QI
NIST Chemistry Reference 1,2-Benzenedicarboxylic acid, diisodecyl ester(26761-40-0)
EPA Substance Registry System Diisodecyl phthalate (26761-40-0)
UNSPSC Code 26111700
NACRES NB.61

Safety

Symbol(GHS) Environment (GHS09)
Signal wordWarning
Hazard statements H413
Precautionary statements P273-P501
Hazard Codes  N
Risk Statements  50/53
Safety Statements  23-24/25-61-60
RIDADR  UN 3082 9 / PGIII
WGK Germany  1
RTECS  TI1270000
Autoignition Temperature 380 °C
TSCA  TSCA listed
HS Code  2917 33 00
HazardClass  9
Storage Class 10 - Combustible liquids
Hazard Classifications Aquatic Chronic 4
Hazardous Substances Data 26761-40-0(Hazardous Substances Data)
Toxicity LD50 orally in Rabbit: > 5000 mg/kg LD50 dermal Rabbit > 3160 mg/kg
NFPA 704:
1
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