1,4-Bis(2-ethylhexyl)benzene

• CAS: 87117-22-4
• Catalog Number: ACM87117224
• Category: Arenes
• Molecular Weight: 302.54
• Molecular Formula: C₂₂H₃₈
• Synonyms: 1,4-Bis(2-ethylhexyl)benzene, 87117-22-4, 636738_ALDRICH, AGN-PC-0036U9, Benzene, 1,4-bis(2-ethylhexyl)-, AKOS015889128, I01-17001
• IUPAC Name: 1,4-bis(2-ethylhexyl)benzene
• Canonical SMILES: CCCCC(CC)CC1=CC=C(C=C1)CC(CC)CCCC
• InChI Key: KGDLKOAYUABDIH-UHFFFAOYSA-N
• Boiling Point: 190ºC0.4 mm Hg(lit.)
• Flash Point: >230 °F
• Density: 0.851 g/mL at 25ºC(lit.)
• Exact Mass: 302.29700
• Hazard Statements: H315-H319-H335-H400
• H-Bond Acceptor: 0
• H-Bond Donor: 0
• RIDADR: UN 3077 9 / PGIII
• Safety Description: 26
• Symbol: GHS07

Custom Q&A

What is the molecular formula of 1,4-Bis(2-ethylhexyl)benzene?

The molecular formula is C22H38.

What is the molecular weight of 1,4-Bis(2-ethylhexyl)benzene?

The molecular weight is 302.5 g/mol.

What is the IUPAC name of 1,4-Bis(2-ethylhexyl)benzene?

The IUPAC name is 1,4-bis(2-ethylhexyl)benzene.

What is the InChI of 1,4-Bis(2-ethylhexyl)benzene?

The InChI is InChI=1S/C22H38/c1-5-9-11-19(7-3)17-21-13-15-22(16-14-21)18-20(8-4)12-10-6-2/h13-16,19-20H,5-12,17-18H2,1-4H3.

What is the InChIKey of 1,4-Bis(2-ethylhexyl)benzene?

The InChIKey is KGDLKOAYUABDIH-UHFFFAOYSA-N.

What is the Canonical SMILES of 1,4-Bis(2-ethylhexyl)benzene?

The Canonical SMILES is CCCCC(CC)CC1=CC=C(C=C1)CC(CC)CCCC.

What is the CAS number of 1,4-Bis(2-ethylhexyl)benzene?

The CAS number is 87117-22-4.

What is the European Community (EC) number of 1,4-Bis(2-ethylhexyl)benzene?

The European Community (EC) number is 622-280-9.

What is the XLogP3-AA value of 1,4-Bis(2-ethylhexyl)benzene?

The XLogP3-AA value is 9.4.

Is 1,4-Bis(2-ethylhexyl)benzene a canonical compound?

Yes, it is a canonical compound.