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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BB053848
1 kg
$198
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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: 36-40°C
Purity: >98% by GC
Density: 1.0±0.1 g/cm3
Appearance: Colorless Liquid
Storage: Store at 0-5°C
Vapor Pressure: 0.0000667 [mmHg]
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
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