6846-50-0

Name 2,2,4-TRIMETHYL-1,3-PENTANEDIOL DIISOBUTYRATE
CAS 6846-50-0
EINECS(EC#) 229-934-9
Molecular Formula C16H30O4
MDL Number MFCD00059267
Molecular Weight 286.41
MOL File 6846-50-0.mol

Chemical Properties

Appearance CLEAR COLORLESS LIQUID
Melting point  −70 °C(lit.)
Boiling point  280 °C(lit.)
density  0.941 g/mL at 25 °C(lit.)
vapor pressure  1.5Pa at 25℃
refractive index  n20/D 1.434(lit.)
Fp  >230 °F
storage temp.  Sealed in dry,Room Temperature
solubility  Chloroform (Slightly), Methanol (Slightly)
form  Liquid
color  Clear colorless
explosive limit 0.48%, 172°F
Water Solubility  13mg/L at 25℃
Merck  9251
Henry's Law Constant 9.0×10-1 mol/(m3Pa) at 25℃, HSDB (2015)
Cosmetics Ingredients Functions PLASTICISER
InChI 1S/C16H30O4/c1-10(2)13(20-15(18)12(5)6)16(7,8)9-19-14(17)11(3)4/h10-13H,9H2,1-8H3
InChIKey OMVSWZDEEGIJJI-UHFFFAOYSA-N
SMILES CC(C)C(OC(=O)C(C)C)C(C)(C)COC(=O)C(C)C
LogP 4.91 at 25℃
CAS DataBase Reference 6846-50-0(CAS DataBase Reference)
EPA Substance Registry System 2,2,4-Trimethyl-1,3-pentanediol diisobutyrate (6846-50-0)

Safety Data

Symbol(GHS)  Health Hazard (GHS08)
GHS08
Signal word  Warning
Hazard statements  H361d-H412
Precautionary statements  P202-P273-P280-P308+P313-P405-P501
Safety Statements 
S24/25:Avoid contact with skin and eyes .
WGK Germany  1
RTECS  SA1420000
Autoignition Temperature 795 °F
TSCA  TSCA listed
REACH Registrations Active
HS Code  29156019
Storage Class 10 - Combustible liquids
Hazard Classifications Aquatic Chronic 3
Repr. 2
Hazardous Substances Data 6846-50-0(Hazardous Substances Data)

Hazard Information

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