Hexanoic anhydride - CAS 2051-49-2

Catalog:	BB016030
Product Name:	Hexanoic anhydride
CAS:	2051-49-2
Synonyms:	hexanoyl hexanoate

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Computed Properties

IUPAC Name:	hexanoyl hexanoate
Description:	Hexanoic anhydride (CAS# 2051-49-2) is used as a reactant in the total synthesis of acremomannolipin A via steroselective β-mannosylation of 4,6,-O-benzylidene-protected mannosyl sulfoxide with a D-mannitol derivative.
Molecular Weight:	214.30
Molecular Formula:	C12H22O3
Canonical SMILES:	CCCCCC(=O)OC(=O)CCCCC
InChI:	InChI=1S/C12H22O3/c1-3-5-7-9-11(13)15-12(14)10-8-6-4-2/h3-10H2,1-2H3
InChI Key:	PKHMTIRCAFTBDS-UHFFFAOYSA-N
Boiling Point:	246-248 °C
Density:	0.928 g/cm³
Appearance:	Colorless to very faint yellow liquid
MDL:	MFCD00009509
LogP:	3.21680

Publication Number	Title	Priority Date
CN-113463391-A	Novel warp sizing material for spandex filament core-spun yarn and preparation method thereof	20210720
CN-113336801-A	Tetravalent platinum complex containing BET inhibitor and application	20210608
CN-113461763-A	Novel preparation method of progesterone caproate	20210608
CN-113363435-A	Preparation method of nano Si-Cu @ Cu-MOF lithium battery negative electrode material with high energy density and high cycle performance	20210514
CN-113363436-A	Lithium ion battery with high energy density and high cycle performance	20210514

PMID	Publication Date	Title	Journal
16920092	20061106	Increase in the growth inhibition of bovine pulmonary artery smooth muscle cells by an O-hexanoyl low-molecular-weight heparin derivative	Carbohydrate research
16877313	20060901	Preparation, characterization and protein loading of hexanoyl-modified chitosan nanoparticles	Drug delivery
15841223	20030101	Synthesis and biological activities of turkesterone 11alpha-acyl derivatives	Journal of insect science (Online)

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GHS Hazard Statement:	H314 (96.61%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	167
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	214.15689456
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	214.15689456
Rotatable Bond Count:	10
Topological Polar Surface Area:	43.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.7