1-Allyl-3-methylbenzene

• CAS: 3333-20-8
• Catalog Number: ACM3333208
• Category: Alkenes
• Molecular Weight: 132.20
• Molecular Formula: C₁₀H₁₂
• Synonyms: 3-(allyl)toluene, 3-(3-Methylphenyl)-1-propene, 1-allyl-3-methylbenzene, 1-methyl-3-allylbenzene, 1-methyl-3-prop-2-enylbenzene, 3333-20-8, m-Allyltoluene, 3-allyltoluene, ACMC-20aoyj, AC1LAYGX, 3-(3-Methylphenyl)prop-1-ene, CTK4H0392, 1-methyl-3-prop-2-enyl-benzene, AKOS006340937, 1-methyl-3-(prop-2-en-1-yl)benzene, AG-A-53447, AG-F-12314, OR01912, KB-177838, A815908
• IUPAC Name: 1-methyl-3-prop-2-enylbenzene
• Canonical SMILES: CC1=CC(=CC=C1)CC=C
• InChI Key: JVQAREFZPKBHPG-UHFFFAOYSA-N
• Boiling Point: 182.1ºC at 760 mmHg
• Flash Point: 55.4ºC
• Density: 0.88g/cm³
• Exact Mass: 132.09400
• Hazard Statements: H226-H315-H319-H335
• H-Bond Acceptor: 0
• H-Bond Donor: 0
• RIDADR: UN 2048 3 / PGIII
• Symbol: GHS02

Custom Q&A

What is the molecular formula of 1-Allyl-3-methylbenzene?

The molecular formula of 1-Allyl-3-methylbenzene is C10H12.

What is the molecular weight of 1-Allyl-3-methylbenzene?

The molecular weight of 1-Allyl-3-methylbenzene is 132.20 g/mol.

What is the IUPAC name of 1-Allyl-3-methylbenzene?

The IUPAC name of 1-Allyl-3-methylbenzene is 1-methyl-3-prop-2-enylbenzene.

What is the InChI of 1-Allyl-3-methylbenzene?

The InChI of 1-Allyl-3-methylbenzene is InChI=1S/C10H12/c1-3-5-10-7-4-6-9(2)8-10/h3-4,6-8H,1,5H2,2H3.

What is the InChIKey of 1-Allyl-3-methylbenzene?

The InChIKey of 1-Allyl-3-methylbenzene is JVQAREFZPKBHPG-UHFFFAOYSA-N.

What is the Canonical SMILES of 1-Allyl-3-methylbenzene?

The Canonical SMILES of 1-Allyl-3-methylbenzene is CC1=CC(=CC=C1)CC=C.

What is the CAS number of 1-Allyl-3-methylbenzene?

The CAS number of 1-Allyl-3-methylbenzene is 3333-20-8.

What is the XLogP3-AA value of 1-Allyl-3-methylbenzene?

The XLogP3-AA value of 1-Allyl-3-methylbenzene is 3.4.

What is the hydrogen bond donor count of 1-Allyl-3-methylbenzene?

The hydrogen bond donor count of 1-Allyl-3-methylbenzene is 0.

How many rotatable bonds does 1-Allyl-3-methylbenzene have?

1-Allyl-3-methylbenzene has 2 rotatable bonds.