12-Crown-4

• CAS: 294-93-9
• Catalog Number: ACM294939-2
• Category: Other Products
• Molecular Weight: 176.21
• Molecular Formula: C8H16O4
• Synonyms: 1,4,7,10-Tetraoxacyclododecane
• IUPAC Name: 1,4,7,10-tetraoxacyclododecane
• InChI: XQQZRZQVBFHBHL-UHFFFAOYSA-N
• InChI Key: InChI=1S/C8H16O4/c1-2-10-5-6-12-8-7-11-4-3-9-1/h1-8H2
• Boiling Point: 254.9 °C at 760 mmHg
• Melting Point: 16 °C (lit.)
• Flash Point: >230°F
• Density: 1.089 g/cm3 at 25 °C
• Appearance: Colourless viscous liquid
• Hazard Statements: T+,Xn,Xi
• Isomeric SMILES: C1COCCOCCOCCO1
• Safety Description: 28-36/37-45-36-26
• Supplemental Hazard Statements: H315-H319-H361-H320-H330
• Symbol: GHS06,GHS08

Custom Q&A

What is the molecular formula of 12-Crown-4?

The molecular formula of 12-Crown-4 is C8H16O4.

When was 12-Crown-4 created?

12-Crown-4 was created on September 16, 2004.

Is 12-Crown-4 a crown ether?

Yes, 12-Crown-4 is a crown ether.

What is the molecular weight of 12-Crown-4?

The molecular weight of 12-Crown-4 is 176.21 g/mol.

What is the IUPAC name of 12-Crown-4?

The IUPAC name of 12-Crown-4 is 1,4,7,10-tetraoxacyclododecane.

How many hydrogen bond acceptor counts does 12-Crown-4 have?

12-Crown-4 has 4 hydrogen bond acceptor counts.

What is the InChIKey of 12-Crown-4?

The InChIKey of 12-Crown-4 is XQQZRZQVBFHBHL-UHFFFAOYSA-N.

How many oxygen atoms are present in the structure of 12-Crown-4?

12-Crown-4 has 4 oxygen atoms in its structure.

What is the Canonical SMILES of 12-Crown-4?

The Canonical SMILES of 12-Crown-4 is C1COCCOCCOCCO1.

What is the topological polar surface area of 12-Crown-4?

The topological polar surface area of 12-Crown-4 is 36.9 Ų.

Synthetic Use

Downstream Synthesis Route 1

• 294-93-9
• 7453-26-1

• 120547-14-0

Reference: [1]Chen, Hong; Bartlett, Ruth A.; Dias, H.V.Rasika; Olmstead, Marilyn M.; Power, Philip P.
[Journal of the American Chemical Society, 1989, vol. 111, # 12, p. 4338 - 4345]

* For details of the synthesis route, please refer to the original source to ensure accuracy.