3-Pentyn-2-Ol

• CAS: 58072-60-9
• Catalog Number: ACM58072609
• Category: Alkynes
• Molecular Weight: 84.12
• Molecular Formula: C5H8O
• Synonyms: 3-Pentyn-2-ol, CMLDBU00000247, 27301-54-8, 2-Pentyn-4-ol, pent-3-yn-2-ol, AC1L3IVQ, 77056_ALDRICH, 77056_FLUKA, CTK1A4509, (S)-PENT-3-YNE-2-OL, AG-E-86958, JL-003-123, 58072-60-9
• IUPAC Name: pent-3-yn-2-ol
• Canonical SMILES: CC#CC(C)O
• InChI Key: HJFRLXPEVRXBQZ-UHFFFAOYSA-N
• Boiling Point: 138-140 °C (lit.)
• Flash Point: 56.9ºC
• Density: 0.900 g/mL at 20ºC(lit.)
• Exact Mass: 84.05750
• Hazard Statements: H302-H315-H319-H335
• H-Bond Acceptor: 1
• H-Bond Donor: 1
• RIDADR: UN 1987C 3 / PGIII
• Safety Description: 26-36
• Symbol: GHS07

Custom Q&A

What is the CID of the compound?

The CID of the compound is 141344.

What is the molecular formula of the compound?

The molecular formula of the compound is C5H8O.

What are the synonyms of the compound?

The synonyms of the compound are 3-Pentyn-2-ol, pent-3-yn-2-ol, 27301-54-8, and 58072-60-9.

What is the molecular weight of the compound?

The molecular weight of the compound is 84.12 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is pent-3-yn-2-ol.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C5H8O/c1-3-4-5(2)6/h5-6H,1-2H3.

What is the InChIKey of the compound?

The InChIKey of the compound is HJFRLXPEVRXBQZ-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is CC#CC(C)O.

What is the CAS number of the compound?

The CAS number of the compound is 27301-54-8.

Is the compound canonicalized?

Yes, the compound is canonicalized.