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2,2,4-Trimethyl-1,3-pentanediol diisobutyrate

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For Research Use Only | Not For Clinical Use
CATAPS6846500
CAS6846-50-0
Structure
MDL NumberMFCD00059267
IUPAC Name[2,2,4-trimethyl-3-(2-methylpropanoyloxy)pentyl] 2-methylpropanoate
Molecular Weight286.41
Molecular FormulaC16H30O4
EC Number229-934-9
Canonical SMILESCC(C)C(OC(=O)C(C)C)C(C)(C)COC(=O)C(C)C
InChIInChI=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
InChI KeyOMVSWZDEEGIJJI-UHFFFAOYSA-N
Descriptionanalytical standard
Density0.941 g/mL at 25 °C (lit.)
Accurate Mass286.2144
Assay≥98.5% (GC)
Autoignition Temperature795 °F
BP280 °C (lit.)
Expl Lim0.48 %, 172 °F; 3.1 %, 230 °F
FormatNeat
Gradeanalytical standard
Linear Formula(CH3)2CHCH[O2CCH(CH3)2]C(CH3)2CH2O2CCH(CH3)2
MP−70 °C (lit.)
Refractive Indexn20/D 1.433-1.435; n20/D 1.434 (lit.)
ShippingRoom Temperature
Size1ML
Storage Conditions+20°C
SubcategoryEU Methods, Phthalates
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