4-Pentyn-2-ol

• CAS: 2117-11-5
• Catalog Number: ACM2117115
• Category: Alkynes
• Molecular Weight: 84.12
• Molecular Formula: C₅H₈O
• Synonyms: 4-Pentyn-2-ol, 4-Pentyne-2-ol, Pent-4-yn-2-ol, (+-)-4-pentyn-2-ol, (+/-)-4-Pentyn-2-ol, 268992_ALDRICH, EINECS 218-321-1, MolPort-003-928-877, CID92915, ZINC02504416, LS-184916, P0818, 2117-11-5
• IUPAC Name: pent-4-yn-2-ol
• Canonical SMILES: CC(CC#C)O
• InChI Key: JTHLRRZARWSHBE-UHFFFAOYSA-N
• Boiling Point: 126.5ºC at 760mmHg
• Flash Point: 37.2ºC
• Density: 0.892
• Appearance: Clear colorless to pale yellow liquid
• EC Number: 218-321-1
• Exact Mass: 84.05750
• Hazard Statements: H225-H314
• H-Bond Acceptor: 1
• H-Bond Donor: 1
• Packing Group: III
• RIDADR: UN 3295A 3 / PGI
• Safety Description: S26-S36
• Symbol: GHS02
• WGK Germany: 3

Custom Q&A

What is the molecular formula of 4-Pentyn-2-ol?

The molecular formula of 4-Pentyn-2-ol is C5H8O.

What is the molecular weight of 4-Pentyn-2-ol?

The molecular weight of 4-Pentyn-2-ol is 84.12 g/mol.

What is the IUPAC name of 4-Pentyn-2-ol?

The IUPAC name of 4-Pentyn-2-ol is pent-4-yn-2-ol.

What is the InChI of 4-Pentyn-2-ol?

The InChI of 4-Pentyn-2-ol is InChI=1S/C5H8O/c1-3-4-5(2)6/h1,5-6H,4H2,2H3.

What is the InChIKey of 4-Pentyn-2-ol?

The InChIKey of 4-Pentyn-2-ol is JTHLRRZARWSHBE-UHFFFAOYSA-N.

What is the canonical SMILES of 4-Pentyn-2-ol?

The canonical SMILES of 4-Pentyn-2-ol is CC(CC#C)O.

What is the CAS number of 4-Pentyn-2-ol?

The CAS number of 4-Pentyn-2-ol is 2117-11-5.

What is the XLogP3-AA value of 4-Pentyn-2-ol?

The XLogP3-AA value of 4-Pentyn-2-ol is 0.6.

Is 4-Pentyn-2-ol a canonicalized compound?

Yes, 4-Pentyn-2-ol is a canonicalized compound.