5-Hexen-1-Ol

• CAS: 821-41-0
• Catalog Number: ACM821410
• Category: Alkenes
• Molecular Weight: 100.16
• Molecular Formula: C6H12O
• Synonyms: 5-Hexen-1-Ol
• IUPAC Name: hex-5-en-1-ol
• Canonical SMILES: C=CCCCCO
• InChI: InChI=1S/C6H12O/c1-2-3-4-5-6-7/h2,7H,1,3-6H2
• InChI Key: UIZVMOZAXAMASY-UHFFFAOYSA-N
• Boiling Point: 78-80 °C (lit.) at 25 mmHg
• Melting Point: <-20 ºC
• Flash Point: 47.2±0.0 °C
• Density: 0.8±0.1 g/cm3
• Appearance: Colorless transparent liquid
• Hazard Statements: F
• Refractive Index: 1.43
• RIDADR: UN 1987C 3 / PGIII
• Safety Description: 16
• Supplemental Hazard Statements: H314-H318-H226
• Symbol: GHS02,GHS05

Custom Q&A

What is the molecular formula of 5-Hexen-1-ol?

The molecular formula of 5-Hexen-1-ol is C6H12O.

When was 5-Hexen-1-ol first created?

5-Hexen-1-ol was first created on March 27, 2005.

What is the molecular weight of 5-Hexen-1-ol?

The molecular weight of 5-Hexen-1-ol is 100.16 g/mol.

What are some synonyms for 5-Hexen-1-ol?

Some synonyms for 5-Hexen-1-ol include Hex-5-en-1-ol, 1-Hexen-6-ol, and 5-Hexenol.

How many hydrogen bond donor counts does 5-Hexen-1-ol have?

5-Hexen-1-ol has 1 hydrogen bond donor count.

What is the InChIKey for 5-Hexen-1-ol?

The InChIKey for 5-Hexen-1-ol is UIZVMOZAXAMASY-UHFFFAOYSA-N.

What is the XLogP3-AA value for 5-Hexen-1-ol?

The XLogP3-AA value for 5-Hexen-1-ol is 1.4.

How many rotatable bond counts does 5-Hexen-1-ol have?

5-Hexen-1-ol has 4 rotatable bond counts.

What is the exact mass of 5-Hexen-1-ol?

The exact mass of 5-Hexen-1-ol is 100.088815002 g/mol.

How many defined bond stereocenter counts does 5-Hexen-1-ol have?

5-Hexen-1-ol has 0 defined bond stereocenter counts.

Synthetic Use

Downstream Synthesis Route 1

• 821-41-0

• 2695-47-8

Reference: [1] Heterocycles, 1986, vol. 24, # 2, p. 297 - 302

Downstream Synthesis Route 2

• 821-41-0

• 55863-02-0

Reference: [1] Bulletin de la Societe Chimique de France, 1975, p. 2315 - 2320

Downstream Synthesis Route 3

• 821-41-0

• 87184-80-3

Reference: [1] Journal of the American Chemical Society, 1999, vol. 121, # 4, p. 700 - 709

Downstream Synthesis Route 4

• 821-41-0

• 925-65-5

Reference: [1]Location in patent: scheme or table
Ngatimin, Marsewi; Gartshore, Christopher J.; Kindler, Jeremy P.; Naidu, Sudha; Lupton, David W.
[Tetrahedron Letters, 2009, vol. 50, # 44, p. 6008 - 6011]
[2]Moriuchi, Toshiyuki; Fukui, Yasuhiro; Kato, Satoshi; Kajikawa, Tomomi; Hirao, Toshikazu
[Journal of Inorganic Biochemistry, 2015, vol. 147, p. 177 - 180]
[3]Dong, Xichang; Roeckl, Johannes L.; Waldvogel, Siegfried R.; Morandi, Bill
[Science, 2021, vol. 371, # 6528]
[4]Colonge,J.; Lasfargues,P.
[Bulletin de la Societe Chimique de France, 1962, p. 177 - 182]

Downstream Synthesis Route 5

• 821-41-0

• 18343-91-4

Reference: [1]Location in patent: scheme or table
Ngatimin, Marsewi; Gartshore, Christopher J.; Kindler, Jeremy P.; Naidu, Sudha; Lupton, David W.
[Tetrahedron Letters, 2009, vol. 50, # 44, p. 6008 - 6011]

Downstream Synthesis Route 6

• 821-41-0
• 124-63-0

• 64818-36-6

Reference: [1]Aubineau, Thomas; Cossy, Janine
[Chemical Communications, 2013, vol. 49, # 32, p. 3303 - 3305]

* For details of the synthesis route, please refer to the original source to ensure accuracy.