Di-tert-butyl malonate - CAS 541-16-2

Catalog:	BB028507
Product Name:	Di-tert-butyl malonate
CAS:	541-16-2
Synonyms:	ditert-butyl propanedioate

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Computed Properties

IUPAC Name:	ditert-butyl propanedioate
Description:	Di-tert-butyl malonate (CAS# 541-16-2) is a potential porogen for porogen-derived membranes.
Molecular Weight:	216.27
Molecular Formula:	C11H20O4
Canonical SMILES:	CC(C)(C)OC(=O)CC(=O)OC(C)(C)C
InChI:	InChI=1S/C11H20O4/c1-10(2,3)14-8(12)7-9(13)15-11(4,5)6/h7H2,1-6H3
InChI Key:	CLPHAYNBNTVRDI-UHFFFAOYSA-N
Boiling Point:	110-111 ℃ (22 mmHg)
Density:	0.966 g/cm³
MDL:	MFCD00008810
LogP:	2.05990

Publication Number	Title	Priority Date
JP-2021152115-A	Multimer composition, blocked multimer composition and method for producing these	20200324
CN-113337170-A	Curable composition, cured product, near-infrared absorption filter, and method for producing same	20200218
KR-20210105284-A	Curable composition, cured product, near-infrared absorbing filter, method of producing cured product, method of producing near-infrared absorbing filter, method of storaging curable composition in low temperature, method of transportating curable composition, and method of providing curable composition	20200218
US-2021171490-A1	Red-shifted fluorophores	20191209
WO-2021097116-A1	Novel functionalized lactams as modulators of the 5-hydroxytryptamine receptor 7 and their method of use	20191113

PMID	Publication Date	Title	Journal
20218696	20100407	Total synthesis of (+/-)- and (-)-actinophyllic acid	Journal of the American Chemical Society
19378558	20090128	Monomeric malonate precursors for the MOCVD of HfO2 and ZrO2 thin films	Dalton transactions (Cambridge, England : 2003)
18491907	20080618	Total synthesis of (+/-)-actinophyllic acid	Journal of the American Chemical Society
17475001	20070502	Revalidation and rationale for high pKa values of unconjugated bilirubin	BMC biochemistry
16832499	20060728	Precursor chemistry for TiO2: titanium complexes with a mixed nitrogen/oxygen ligand sphere	Dalton transactions (Cambridge, England : 2003)

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GHS Hazard Statement:	H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement:	P261, P272, P280, P302+P352, P321, P333+P313, P363, and P501
Signal Word:	Warning

Complexity:	216
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	216.13615911
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	216.13615911
Rotatable Bond Count:	6
Topological Polar Surface Area:	52.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1