3-Methyl-1-pentanol

• CAS: 589-35-5
• Catalog Number: ACM589355
• Category: Alcohols
• Molecular Weight: 102.17
• Molecular Formula: C₆H₁₄O
• Synonyms: 3-Methylpentan-1-ol, 1-Pentanol, 3-methyl-, NSC9466, CID641003, ZINC01699998, InChI=1/C6H14O/c1-3-6(2)4-5-7/h6-7H,3-5H2,1-2H, 589-35-5
• IUPAC Name: (3S)-3-methylpentan-1-ol
• Canonical SMILES: CCC(C)CCO
• InChI Key: IWTBVKIGCDZRPL-LURJTMIESA-N
• Boiling Point: 153ºC at 760mmHg
• Flash Point: 58.9ºC
• Density: 0.814g/cm³
• Appearance: clear colorless liquid
• EC Number: 209-644-9
• Exact Mass: 102.10400
• Hazard Statements: H226-H302 + H312-H319
• H-Bond Acceptor: 1
• H-Bond Donor: 1
• Packing Group: III
• RIDADR: UN 2282 3 / PGIII
• Safety Description: S26-S36
• Symbol: GHS02

Custom Q&A

What is the molecular formula of 3-Methyl-1-pentanol?

The molecular formula of 3-Methyl-1-pentanol is C6H14O.

What is the molecular weight of 3-Methyl-1-pentanol?

The molecular weight of 3-Methyl-1-pentanol is 102.17 g/mol.

What is the IUPAC name of 3-Methyl-1-pentanol?

The IUPAC name of 3-Methyl-1-pentanol is 3-methylpentan-1-ol.

What is the InChI of 3-Methyl-1-pentanol?

The InChI of 3-Methyl-1-pentanol is InChI=1S/C6H14O/c1-3-6(2)4-5-7/h6-7H,3-5H2,1-2H3.

What is the InChIKey of 3-Methyl-1-pentanol?

The InChIKey of 3-Methyl-1-pentanol is IWTBVKIGCDZRPL-UHFFFAOYSA-N.

What is the canonical SMILES of 3-Methyl-1-pentanol?

The canonical SMILES of 3-Methyl-1-pentanol is CCC(C)CCO.

What is the CAS number of 3-Methyl-1-pentanol?

The CAS number of 3-Methyl-1-pentanol is 589-35-5.

Is 3-Methyl-1-pentanol found naturally?

Yes, 3-Methyl-1-pentanol is a natural product found in Artemisia capillaris, Vitis vinifera, and other organisms.

How many hydrogen bond donor counts does 3-Methyl-1-pentanol have?

3-Methyl-1-pentanol has 1 hydrogen bond donor count.

What is the topological polar surface area of 3-Methyl-1-pentanol?

The topological polar surface area of 3-Methyl-1-pentanol is 20.2Ų.