Monomethyl Sebacate - CAS 818-88-2

Catalog:	BB036725
Product Name:	Monomethyl Sebacate
CAS:	818-88-2
Synonyms:	10-methoxy-10-oxodecanoic acid; 10-methoxy-10-oxodecanoic acid

Technical Data

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Computed Properties

IUPAC Name:	10-methoxy-10-oxodecanoic acid
Description:	Monomethyl Sebacate (CAS# 818-88-2) is a useful research chemical.
Molecular Weight:	216.27
Molecular Formula:	C11H20O4
Canonical SMILES:	COC(=O)CCCCCCCCC(=O)O
InChI:	InChI=1S/C11H20O4/c1-15-11(14)9-7-5-3-2-4-6-8-10(12)13/h2-9H2,1H3,(H,12,13)
InChI Key:	OSYQOBUUFRGFNG-UHFFFAOYSA-N
Boiling Point:	168-170 °C / 3 mmHg (lit.)
Density:	1.038 g/cm³
Appearance:	White solid
MDL:	MFCD00004439
LogP:	2.36480

Publication Number	Title	Priority Date
WO-2021127214-A1	Synthetic processes and intermediates	20191220
WO-2021119554-A1	Compositions and methods for potentiating immune activity	20191212
WO-2021117769-A1	Pharmaceutical composition and treatment agent	20191210
WO-2021117770-A1	Pharmaceutical composition and treatment agent	20191210
WO-2021095876-A1	Lipid composition	20191115

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Signal Word:	Warning

Complexity:	189
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:	1
Isotope Atom Count:	0
Monoisotopic Mass:	216.13615911
Rotatable Bond Count:	10
Topological Polar Surface Area:	63.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4