Structure via PubChem · Public domain (PubChem)
hexanal
Sign in to saveAlso known as hexyl aldehyde, caproaldehyde, capronaldehyde, hexylaldehyde, hexanaldehyde, caproic aldehyde, hexaldehyde, n-hexylaldehyde
Hexanal, also called hexanaldehyde or caproaldehyde is an alkyl aldehyde used in the flavor industry to produce fruity flavors. Its scent resembles freshly cut grass, like cis-3-hexenal. It is potentially useful as a natural extract that prevents fruit spoilage. It occurs naturally, and contributes to a hay-like "off-note" flavor in green peas.
Chemical data
- Formula
- C6H12O
- Molecular weight
- 100.16 g/mol
- IUPAC name
- hexanal
- SMILES
- CCCCCC=O
- InChIKey
- JARKCYVAAOWBJS-UHFFFAOYSA-N
- XLogP
- 1.8
- Polar surface area
- 17.1 Ų
- H-bond donors
- 0
- H-bond acceptors
- 1
- Formal charge
- 0
via PubChem
Research
27,524 papers- n-Hexane.Reviews of environmental contamination and toxicology · 1988
- [Neuropathy in n-hexane poisoning].Zhurnal nevrologii i psikhiatrii imeni S.S. Korsakova · 2024
- Miscellaneous hydrocarbon solvents.Clinics in occupational and environmental medicine · 2004
- Occupational ototoxicity of n-hexane.Human & experimental toxicology · 2008
- [Progress on the mechanism of n-hexane induced toxic effects in vitro and in vivo].Zhonghua lao dong wei sheng zhi ye bing za zhi = Zhonghua laodong weisheng zhiyebing zazhi = Chinese journal of industrial hygiene and occupational diseases · 2023
via PubMed
Wikidata facts
- Mass
- 100.089
- Autonomy
- 195
Show 14 more facts
- chemical formula
- C₆H₁₂O
- Commons category
- Hexanal
- canonical SMILES
- CCCCCC=O
- melting point
- -58.2
- ionization energy
- 9.72
- refractive index
- 1.4039
- median lethal dose (LD50)
- 5500
- standard molar entropy
- 280.3
- boiling point
- 131
- partition coefficient water/octanol
- 1.78
- molar fusion enthalpy
- 13.3
- vapor pressure
- 1.48
- flash point
- 24
- density
- 0.8335
via Wikidata · CC0
~1 min read
Article
1 sectionsContents
- References
Hexanal, also called hexanaldehyde or caproaldehyde is an alkyl aldehyde used in the flavor industry to produce fruity flavors. Its scent resembles freshly cut grass, like cis-3-hexenal. It is potentially useful as a natural extract that prevents fruit spoilage. It occurs naturally, and contributes to a hay-like "off-note" flavor in green peas.
The first synthesis of hexanal was published in 1907 by P. Bagard.