Octadecyl acrylate - CAS 4813-57-4

Name: Octadecyl acrylate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Technical Data

IUPAC Name:	octadecyl prop-2-enoate
Description:	Octadecyl acrylate (CAS# 4813-57-4) is a reagent used in the synthesis of comb-like polymers which are incorporated into waterborne latexes improving barrier properties.
Molecular Weight:	324.54
Molecular Formula:	C21H40O2
Canonical SMILES:	CCCCCCCCCCCCCCCCCCOC(=O)C=C
InChI:	InChI=1S/C21H40O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-21(22)4-2/h4H,2-3,5-20H2,1H3
InChI Key:	FSAJWMJJORKPKS-UHFFFAOYSA-N
Boiling Point:	402.85 °C (rough estimate)
Melting Point:	32-34 °C (lit.)
Flash Point:	>230 °F
Purity:	> 97.0 % (GC)
Density:	0.80 g/cm³
Appearance:	White to light brown powder
LogP:	6.97710
Refractive Index:	1.5344 (estimate)

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P333+P313, P337+P313, P362, P363, P391, P403+P233, P405, and P501
Signal Word:	Warning

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PMID	Publication Date	Title	Journal
23044125	20130102	β-Cyclodextrin-based oil-absorbent microspheres: preparation and high oil absorbency	Carbohydrate polymers
22826176	20121101	Folate-conjugated thermo-responsive micelles for tumor targeting	Journal of biomedical materials research. Part A
22699229	20120701	Selectivity enhancement for the separation of tocopherols and steroids by integration of highly ordered weak interaction sites along the polymer main chain	Analytical and bioanalytical chemistry
22204937	20120406	Molecular-shape selective high-performance liquid chromatography: stabilization effect of polymer main chain by alternating copolymerization	Journal of chromatography. A
22372643	20120321	Dual peptide nucleic acid- and peptide-functionalized shell cross-linked nanoparticles designed to target mRNA toward the diagnosis and treatment of acute lung injury	Bioconjugate chemistry

Complexity:	261
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	324.302830514
Formal Charge:	0
Heavy Atom Count:	23
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	324.302830514
Rotatable Bond Count:	19
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	9.4