h
hexanal
Chemical compound
Also known as hexyl aldehyde · caproaldehyde · capronaldehyde · hexylaldehyde · hexanaldehyde · caproic aldehyde
- Formula
- C₆H₁₂O
1
- C₆H₁₂O
- Mass
- 100.089 Da
1
- 100.089 Da
- Melting point
- -56°C
3
Sources- 1.Stated in Jean-Claude Bradley Open Melting Point Dataset
- 2.Stated in Basic Laboratory and Industrial Chemicals: A CRC Quick Reference Handbook
- 3.Stated in GESTIS database“Hexaldehyde”Retrieved 2026-04-26
- , -58.2°C
1
- -56°C
- Boiling point
- 129.6°C
1
- , 131°C
- , 28°C
- 129.6°C
- Density
- 0.81 g/cm³
1
- , 0.8335 g/cm³
1
- 0.81 g/cm³
- Solubility
- 6 g/L
1
- , unknown
1
- , unknown
1
- +2 more
- 6 g/L
Overview
Chemistry
All data
206 statements · 85% with external sources · numbers in brackets are citations
- Canonical SMILES
- CCCCCC=O
1
- CCCCCC=O
- Found in taxon
- Malus domestica
1
- Gyromitra esculenta
- Prunus dulcis
- Zingiber mioga
1
- Astragalus membranaceus
- Daphne odora
- Vaccinium ashei
- maize
5
Sources- 1.Stated in Volatiles of corn kernels and husks: possible corn ear worm attractants
- 2.Stated in Volatile components of corn roots: possible insect attractants
- 3.Stated in Corn leaf volatiles: indentification using Tenax trapping for possible insect attractants
- 4.Stated in Volatiles of corn tassels: possible corn ear worm attractants
- 5.Stated in Volatile Flavor Components of Corn Tortillas and Related Products
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- Swertia japonica
- common sunflower
- Averrhoa carambola
- ginger
- Psidium guajava
1
- Cynara scolymus
- Helianthus tuberosus
- Bellis perennis
1
- Gossypium hirsutum
- Olea europaea
- Plumeria rubra
- Persea americana
- Actinidia chinensis
- Festuca arundinacea
1
- watermelon
- Taxus canadensis
- Nepeta racemosa
- Pyrus pyrifolia
1
- Allium ampeloprasum
1
- Passiflora incarnata
- Juglans nigra
- Thymus longicaulis
- Aster scaber
- Echinophora tenuifolia
- Thymbra spicata
- Eruca sativa
- Geum heterocarpum
- Hyptis suaveolens
- Centella asiatica
1
- Cyclotrichium niveum
- Chaenomeles speciosa
- basil
- Polygala senega
- Ceraeochrysa smithi
- Humulus lupulus
2
Sources- 1.Stated in Comparison of the most odor-active compounds in fresh and dried hop cones (Humulus lupulus L. variety spalter select) based on GC-olfactometry and odor dilution techniques
- 2.Stated in Rapid Differentiation of Chinese Hops Varieties (Humulus lupulus) Using Volatile Fingerprinting by HS-SPME-GC-MS Combined with Multivariate Statistical Analysis
- Trigonella foenum-graecum
- Paeonia lactiflora
1
- Amaranthus retroflexus
1
- Triticum aestivum
1
- Mangifera indica
- clove
- Asarum canadense
- parsley
1
- Cichorium endivia
- Cucurbita maxima
- Vitis rotundifolia
- Sorghum bicolor
1
- Brassica campestris
- Brassica carinata
- Cleistopholis patens
1
- Castanopsis cuspidata
1
- Scytosiphon lomentaria
1
- Malus domestica
- Ionization energy
- 9.67 eV
- 9.72 eV
1
- Refractive index
- 1.4039 temperature: 20°C · wavelength: 589 nm
1
- 1.4039 temperature: 20°C · wavelength: 589 nm
- Median lethal dose (LD50)
- 4,890 milligram per kilogram applies to taxon: laboratory rat · route of administration: oral administration
2
Sources- 1.Stated in The Merck Index. An Encyclopedia of Chemicals, Drugs, and Biologicals, 15th edition
- 2.Stated in GESTIS database“Hexaldehyde”Retrieved 2026-04-26
- 5,500 milligram per kilogram applies to taxon: rabbit · route of administration: skin absorption
1
- 4,890 milligram per kilogram applies to taxon: laboratory rat · route of administration: oral administration
- Standard molar entropy
- 280.3 joule per mole kelvin state of matter: liquid
1
- 280.3 joule per mole kelvin state of matter: liquid
- Partition coefficient water/octanol
- 1.78 temperature: 25°C
2
Sources- 1.Stated in CRC Handbook of Chemistry and Physics (97th edition)
- 2.Stated in GESTIS database“Hexaldehyde”Retrieved 2026-04-26
- 1.78 temperature: 25°C
- Phase point
- critical point temperature: 592 K · under pressure: 3.4 MPa · molar volume: 378 cubic centimetre per mole
1
- critical point temperature: 592 K · under pressure: 3.4 MPa · molar volume: 378 cubic centimetre per mole
- Molar fusion enthalpy
- 13.3 kilojoule per mole temperature: -58.2°C
1
- 13.3 kilojoule per mole temperature: -58.2°C
- Vapor pressure
- 1.48 kilopascal temperature: 25°C
1
- 1.48 kilopascal temperature: 25°C
- Flash point
- 24°C
1
- 24°C
- Autoignition temperature
- 195°C
1
- 195°C
On other databases
42 identifiers linking hexanal across the web's reference databases
- CAMEO Chemicals ID845
- Cannabis Database ID000057
- CAS Registry Number66-25-1
- ChEBI ID88528
- ChEMBL IDCHEMBL280331
- ChemSpider ID5949
- CosIng number76399
- DSSTOX compound identifierDTXCID901604
- DSSTox substance IDDTXSID2021604
- EC number200-624-5
- ECHA Substance Infocard ID100.000.567
- FL number05.008
- Freebase ID/m/03d880t
- GND ID4226485-6
- Gran Enciclopèdia Catalana IDhexanal
- Gran Enciclopèdia Catalana ID (former scheme)0114127
- HSDB ID560
- Human Metabolome Database IDHMDB0005994
- InChIInChI=1S/C6H12O/c1-2-3-4-5-6-7/h6H,2-5H2,1H3
- InChIKeyJARKCYVAAOWBJS-UHFFFAOYSA-N
- J-GLOBAL ID200907012031220554
- JECFA database ID3363
- JECFA number92
- KNApSAcK IDC00000357
- LIPID MAPS IDLMFA06000109
- MassBank accession IDMSBNK-Fac_Eng_Univ_Tokyo-JP001481
- MeSH descriptor IDC010463
- Microsoft Academic ID (discontinued)2778353584
- Nikkaji IDJ1.409E
- NSC number2596
- OpenAlex IDC2778353584
- PDB ligand IDO8Y
- PesticideInfo chemical IDPRI861
- PubChem CID6184
- RTECS numberMN7175000
- SpectraBase compound IDFpCzP9TtO5P
- SPLASHsplash10-052f-9000000000-89f4d5edf8639a778ef4
- SureChEMBL ID22263
- SwissLipids IDSLM:000597645
- UniChem compound ID413249
- UNII9DC2K31JJQ
- ZVG number39340