18-Crown-6 - CAS 17455-13-9

Catalog:	BB053848
Product Name:	18-Crown-6
CAS:	17455-13-9
Synonyms:	1,4,7,10,13,16-hexaoxacyclooctadecane

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Catalog	Size	Price	Stock	Quantity
BB053848	1 kg	$198	In stock

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Technical Data

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Computed Properties

IUPAC Name:	1,4,7,10,13,16-hexaoxacyclooctadecane
Molecular Weight:	264.32
Molecular Formula:	C12H24O6
Canonical SMILES:	C1COCCOCCOCCOCCOCCO1
InChI:	InChI=1S/C12H24O6/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1/h1-12H2
InChI Key:	XEZNGIUYQVAUSS-UHFFFAOYSA-N
Boiling Point:	395.8±37.0 °C at 760 mmHg
Melting Point:	36-40ºC
Purity:	>98% by GC
Density:	1.0±0.1 g/cm3
Appearance:	Colorless Liquid
Storage:	Store at 0-5ºC
Vapor Pressure:	0.0000667 [mmHg]

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Oxygen Compounds

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GHS Hazard Statement:	H302 (98.08%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (23.56%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (25.96%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (20.67%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	108
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	264.15728848
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	264.15728848
Rotatable Bond Count:	0
Topological Polar Surface Area:	55.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.7