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Product No: AA6261

18-Crown-6, 98%

Name: 18-Crown-6
Brand: Chempure

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CAS Number

17455-13-9

Molecular Weight

264.32

Formula

C12H24O6

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About this item

IUPAC name	1,4,7,10,13,16-hexaoxacyclooctadecane
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
molecular formula	C12H24O6
synonyms	18-Crown-6 17455-13-9 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE 18-crown-6-ether 18-Crown-6 ether
Compound Description	18-crown-6 is a crown ether that is cyclooctadecane in which the carbon atoms at positions 1, 4, 7, 10, 13 and 16 have been replaced by oxygen atoms. It has a role as a phase-transfer catalyst. It is a crown ether and a saturated organic heteromonocyclic parent.

Computed Properties

Molecular Weight:	264.31 g/mol
XLogP3:	-0.7
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	6
Rotatable Bond Count:	0
Exact Mass:	264.15728848 g/mol
Monoisotopic Mass:	264.15728848 g/mol
Topological Polar Surface Area:	55.4 Å²
Heavy Atom Count:	18
Formal Charge:	0
Complexity:	108
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

Diethylene glycol diethyl ether

1,4,7,10,13-Pentaoxacyclopentadecane

1,4,7,10,13,16-Hexaoxacyclooctadecane

Triglyme

Tetraglyme

2,5,8,11-Tetraoxatridecan-13-ol

3,6,9,12,15-Pentaoxaheptadecane

Etoglucid

1,4,7,10-Tetraoxacyclododecane

3,6,9,12,15,18-Hexaoxaicosane

2,5,8,11,14,17-Hexaoxaoctadecane

1,4,7,10,13-Pentaoxa-16-azacyclooctadecane

2,2-Dimethyl-1,3,6,9,12,15-hexaoxa-2-silacycloheptadecane

1,4,10,13-Tetraoxa-7,16-dithiacyclooctadecane

2,5,8,11,14,17,20-Heptaoxahenicosane

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (98.65%) Skin Irrit. 2 (16.89%) Eye Irrit. 2A (18.24%) STOT SE 3 (14.86%)
precautionary statement codes	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
hazard statements	H302 (98.65%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (16.89%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (18.24%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (14.86%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
hazards summary	If absorbed, can cause electrolyte imbalance affecting the CNS. Signs of intoxication include hyperventilation, tremor, incoordination, and CNS depression. May damage the skin and eyes. LD50 (mouse) by ingestion is 0.7 g/kg. LD50 (rabbit) by skin absorption is 200 mg/kg. Toxic by ingestion. A skin, eye, and respiratory tract irritant. Oral LD50 (rat) = 525 mg/kg. Dermal LDLo (rat) = 7000 mg/kg. High-dose feeding causes seizures, weight loss, and liver injury in experimental animals.

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About this item

Documentation

Certificate of Analysis

Lot Number

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CAS #

*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

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About this item

IUPAC name	1,4,7,10,13,16-hexaoxacyclooctadecane
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
molecular formula	C12H24O6
synonyms	18-Crown-6 17455-13-9 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE 18-crown-6-ether 18-Crown-6 ether
Compound Description	18-crown-6 is a crown ether that is cyclooctadecane in which the carbon atoms at positions 1, 4, 7, 10, 13 and 16 have been replaced by oxygen atoms. It has a role as a phase-transfer catalyst. It is a crown ether and a saturated organic heteromonocyclic parent.

Computed Properties

Molecular Weight:	264.31 g/mol
XLogP3:	-0.7
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	6
Rotatable Bond Count:	0
Exact Mass:	264.15728848 g/mol
Monoisotopic Mass:	264.15728848 g/mol
Topological Polar Surface Area:	55.4 Å²
Heavy Atom Count:	18
Formal Charge:	0
Complexity:	108
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

Diethylene glycol diethyl ether

1,4,7,10,13-Pentaoxacyclopentadecane

1,4,7,10,13,16-Hexaoxacyclooctadecane

Triglyme

Tetraglyme

2,5,8,11-Tetraoxatridecan-13-ol

3,6,9,12,15-Pentaoxaheptadecane

Etoglucid

1,4,7,10-Tetraoxacyclododecane

3,6,9,12,15,18-Hexaoxaicosane

2,5,8,11,14,17-Hexaoxaoctadecane

1,4,7,10,13-Pentaoxa-16-azacyclooctadecane

2,2-Dimethyl-1,3,6,9,12,15-hexaoxa-2-silacycloheptadecane

1,4,10,13-Tetraoxa-7,16-dithiacyclooctadecane

2,5,8,11,14,17,20-Heptaoxahenicosane

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (98.65%) Skin Irrit. 2 (16.89%) Eye Irrit. 2A (18.24%) STOT SE 3 (14.86%)
precautionary statement codes	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
hazard statements	H302 (98.65%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (16.89%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (18.24%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (14.86%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
hazards summary	If absorbed, can cause electrolyte imbalance affecting the CNS. Signs of intoxication include hyperventilation, tremor, incoordination, and CNS depression. May damage the skin and eyes. LD50 (mouse) by ingestion is 0.7 g/kg. LD50 (rabbit) by skin absorption is 200 mg/kg. Toxic by ingestion. A skin, eye, and respiratory tract irritant. Oral LD50 (rat) = 525 mg/kg. Dermal LDLo (rat) = 7000 mg/kg. High-dose feeding causes seizures, weight loss, and liver injury in experimental animals.

Product No: AA6261

18-Crown-6, 98%

Product No: AA6261

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: AA6261

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?