1,2-Epoxyoctane purum

• CAS: 2984-50-1
• Catalog Number: ACM2984501
• Category: Epoxides
• Molecular Weight: 128.21g/mol
• Molecular Formula: C8H16O
• Synonyms: 1,2-Epoxy-n-octane;1,2-Epoxyoktan;1-Octene epoxide;2-Hexyloxirane;alpha-Epoxyoctane;n-Hexyloxirane;n-Octene-1,2-oxide;Octane 1,2-oxide
• IUPAC Name: 2-hexyloxirane
• Canonical SMILES: CCCCCCC1CO1
• InChI: InChI=1S/C8H16O/c1-2-3-4-5-6-8-7-9-8/h8H,2-7H2,1H3
• InChI Key: NJWSNNWLBMSXQR-UHFFFAOYSA-N
• Complexity: 71
• Covalently-Bonded Unit Count: 1
• EC Number: 221-047-5
• Exact Mass: 128.120115g/mol
• Formal Charge: 0
• Hazard Statements: H226-H302
• H-Bond Acceptor: 1
• H-Bond Donor: 0
• Heavy Atom Count: 9
• Monoisotopic Mass: 128.120115g/mol
• NSC Number: 24246
• RIDADR: UN 1993BE 3 / PGII
• Rotatable Bond Count: 5
• Symbol: GHS02
• XLogP3: 3

Custom Q&A

What is the molecular formula of 1,2-Epoxyoctane?

The molecular formula of 1,2-Epoxyoctane is C8H16O.

What is the molecular weight of 1,2-Epoxyoctane?

The molecular weight of 1,2-Epoxyoctane is 128.21 g/mol.

What is the IUPAC name of 1,2-Epoxyoctane?

The IUPAC name of 1,2-Epoxyoctane is 2-hexyloxirane.

What is the InChI of 1,2-Epoxyoctane?

The InChI of 1,2-Epoxyoctane is InChI=1S/C8H16O/c1-2-3-4-5-6-8-7-9-8/h8H,2-7H2,1H3.

What is the InChIKey of 1,2-Epoxyoctane?

The InChIKey of 1,2-Epoxyoctane is NJWSNNWLBMSXQR-UHFFFAOYSA-N.

What is the canonical SMILES of 1,2-Epoxyoctane?

The canonical SMILES of 1,2-Epoxyoctane is CCCCCCC1CO1.

What is the CAS number of 1,2-Epoxyoctane?

The CAS number of 1,2-Epoxyoctane is 2984-50-1.

What is the XLogP3 value of 1,2-Epoxyoctane?

The XLogP3 value of 1,2-Epoxyoctane is 3.

How many hydrogen bond donors are there in 1,2-Epoxyoctane?

There are 0 hydrogen bond donors in 1,2-Epoxyoctane.

How many rotatable bonds are there in 1,2-Epoxyoctane?

There are 5 rotatable bonds in 1,2-Epoxyoctane.

Synthetic Use

Upstream Synthesis Route 1

• 98-82-8
• 111-66-0

• 4312-99-6
• 2548-87-0
• 617-94-7
• 80-15-9
• 98-86-2
• 2984-50-1

Reference: [1] Catalysis Science and Technology, 2013, vol. 3, # 2, p. 371 - 379

Downstream Synthesis Route 1

• 603-35-0
• 2984-50-1

• 1779-49-3
• 56318-76-4

Reference: [1] Bulletin de la Societe Chimique de France, 1989, # 4, p. 477 - 483

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