3319-31-1

Name Trioctyl trimellitate
CAS 3319-31-1
EINECS(EC#) 222-020-0
Molecular Formula C33H54O6
MDL Number MFCD00053799
Molecular Weight 546.78
MOL File 3319-31-1.mol

Chemical Properties

Appearance viscous yellow liquid
Boiling point  414 °C(lit.)
density  0.990 g/mL at 20 °C(lit.)
vapor pressure  0Pa at 25℃
refractive index  n20/D 1.485(lit.)
Fp  505 °F
storage temp.  Room Temperature
solubility  Chloroform (Slightly), Methanol (Slightly)
form  Oil
color  Colourless
Odor mild odor
Stability: Stable. Combustible. Incompatible with strong oxidizing agents.
Water Solubility  1.8ng/L at 25℃
BRN  2683525
Henry's Law Constant 2.2×101 mol/(m3Pa) at 25℃, HSDB (2015)
Cosmetics Ingredients Functions PLASTICISER
SKIN CONDITIONING - EMOLLIENT
SKIN CONDITIONING
InChI 1S/C33H54O6/c1-7-13-16-25(10-4)22-37-31(34)28-19-20-29(32(35)38-23-26(11-5)17-14-8-2)30(21-28)33(36)39-24-27(12-6)18-15-9-3/h19-21,25-27H,7-18,22-24H2,1-6H3
InChIKey KRADHMIOFJQKEZ-UHFFFAOYSA-N
SMILES CCCCC(CC)COC(=O)c1ccc(C(=O)OCC(CC)CCCC)c(c1)C(=O)OCC(CC)CCCC
LogP 8 at 25℃
CAS DataBase Reference 3319-31-1(CAS DataBase Reference)
NIST Chemistry Reference 1,2,4-Benzenetricarboxylic acid, tris(2-ethylhexyl) ester(3319-31-1)
EPA Substance Registry System 3319-31-1(EPA Substance)

Safety Data

Symbol(GHS)  Health Hazard (GHS08)
GHS08
Signal word  Warning
Hazard statements  H361
Precautionary statements  P201-P202-P281-P308+P313-P405-P501
Safety Statements 
S24/25:Avoid contact with skin and eyes .
WGK Germany  1
RTECS  DC2080000
TSCA  TSCA listed
REACH Registrations Active
HS Code  29173990
Storage Class 10 - Combustible liquids
Hazardous Substances Data 3319-31-1(Hazardous Substances Data)
Toxicity
LD50 orl-mus: >60 g/kg GISAAA 46(5),87,81

Hazard Information

Material Safety Data Sheet(MSDS)

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