Dihydro cuminyl alcohol

• Catalog Number: ACM536594
• Product Name: Dihydro cuminyl alcohol
• CAS: 536-59-4
• Category: Heterocyclic Organic Compound
• Synonyms: 1-Perillalcohol
• IUPAC Name: (4-Prop-1-en-2-ylcyclohexen-1-yl)methanol
• Molecular Weight: 152.23
• Molecular Formula: C10H16O
• Canonical SMILES: CC(=C)C1CCC(=CC1)CO
• InChI: InChI=1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,10-11H,1,4-7H2,2H3
• InChI Key: NDTYTMIUWGWIMO-UHFFFAOYSA-N
• Boiling Point: 119-121 °C/11 mmHg(lit.)
• Melting Point: 271-272 °C
• Flash Point: >230 °F
• Density: 0.96 g/mL at 25 °C(lit.)
• Storage: Under inert gas (nitrogen or argon) at 2-8 °C
• Complexity: 179
• Exact Mass: 152.120115130
• Hazard Statements: Xi
• Monoisotopic Mass: 152.120115130
• pKa: 14.85±0.10(Predicted)
• Refractive Index: n20/D 1.501(lit.)
• Safety Description: 26-39
• Topological Polar Surface Area: 20.2 Ų

Custom Q&A

What is the molecular formula of dihydro cuminyl alcohol?

The molecular formula of dihydro cuminyl alcohol is C10H16O.

What are the synonyms for dihydro cuminyl alcohol?

The synonyms for dihydro cuminyl alcohol are SCHEMBL294443 and AKOS015839478.

What is the molecular weight of dihydro cuminyl alcohol?

The molecular weight of dihydro cuminyl alcohol is 152.23 g/mol.

What is the IUPAC name of dihydro cuminyl alcohol?

The IUPAC name of dihydro cuminyl alcohol is (4-propan-2-ylcyclohexa-2,4-dien-1-yl)methanol.

What is the InChI of dihydro cuminyl alcohol?

The InChI of dihydro cuminyl alcohol is InChI=1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,5-6,8-9,11H,4,7H2,1-2H3.

What is the InChIKey of dihydro cuminyl alcohol?

The InChIKey of dihydro cuminyl alcohol is PGXNVJUNGMMOAV-UHFFFAOYSA-N.

What is the canonical SMILES of dihydro cuminyl alcohol?

The canonical SMILES of dihydro cuminyl alcohol is CC(C)C1=CCC(C=C1)CO.

What is the XLogP3-AA value of dihydro cuminyl alcohol?

The XLogP3-AA value of dihydro cuminyl alcohol is 2.

How many hydrogen bond donor counts does dihydro cuminyl alcohol have?

Dihydro cuminyl alcohol has 1 hydrogen bond donor count.

How many rotatable bond counts does dihydro cuminyl alcohol have?

Dihydro cuminyl alcohol has 2 rotatable bond counts.