3,9-Dodecadiyne

• Catalog Number: ACM61827892
• Product Name: 3,9-Dodecadiyne
• CAS: 61827-89-2
• Category: Alkynes
• Synonyms: 3,9-Dodecadiyne, CID143841, SBB008731, 61827-89-2
• IUPAC Name: dodeca-3,9-diyne
• Molecular Weight: 162.27
• Molecular Formula: C₁₂H₁₈
• Canonical SMILES: CCC#CCCCCC#CCC
• InChI Key: SLQXYOMUNKJHRV-UHFFFAOYSA-N
• Boiling Point: 56.5ºC (0.5 torr)
• Flash Point: 203 °F
• Density: 0.809 g/mL at 25 °C(lit.)
• Exact Mass: 162.14100
• Hazard Statements: H319
• H-Bond Acceptor: 0
• H-Bond Donor: 0
• RIDADR: NONH for all modes of transport
• Safety Description: S24/25
• Symbol: GHS07
• WGK Germany: 3

Custom Q&A

What is the molecular formula of 3,9-Dodecadiyne?

The molecular formula of 3,9-Dodecadiyne is C12H18.

What is the molecular weight of 3,9-Dodecadiyne?

The molecular weight of 3,9-Dodecadiyne is 162.27 g/mol.

What is the IUPAC name of 3,9-Dodecadiyne?

The IUPAC name of 3,9-Dodecadiyne is dodeca-3,9-diyne.

What is the InChI of 3,9-Dodecadiyne?

The InChI of 3,9-Dodecadiyne is InChI=1S/C12H18/c1-3-5-7-9-11-12-10-8-6-4-2/h3-4,9-12H2,1-2H3.

What is the InChIKey of 3,9-Dodecadiyne?

The InChIKey of 3,9-Dodecadiyne is SLQXYOMUNKJHRV-UHFFFAOYSA-N.

What is the canonical SMILES of 3,9-Dodecadiyne?

The canonical SMILES of 3,9-Dodecadiyne is CCC#CCCCCC#CCC.

What is the CAS number of 3,9-Dodecadiyne?

The CAS number of 3,9-Dodecadiyne is 61827-89-2.

What is the EC number of 3,9-Dodecadiyne?

The EC number of 3,9-Dodecadiyne is 620-858-5.

What is the DSSTox Substance ID of 3,9-Dodecadiyne?

The DSSTox Substance ID of 3,9-Dodecadiyne is DTXSID30210817.

Is 3,9-Dodecadiyne a canonicalized compound?

Yes, 3,9-Dodecadiyne is a canonicalized compound according to PubChem.