2D Structure

3D Structure

Hexanal


Properties
PID PID00031
Mol. Weight 100.161 g/mol
LogP 1.65
Water solubility In water, 5640 mg/L at 30 °C
Hydrogen Bond Donor 0
Hydrogen Bond Acceptor 1
Rotatable Bonds 4
XLogP3 1.8

Hexanal

Identifiers
Formula C6H12O
PubChem CID 6184
FEMA 2557
Flavor Profile Characeteristic Fruity Taste (On Dilution),Green, Woody, Vegetative, Apple, Grassy, Citrus And Orange With A Fresh Lingering Aftertaste; Characteristic Fruity Odor (On Dilution), Strong, Green Grass Odor, Sharp, Aldehyde Odor.
Smiles CCCCCC=O
InChl Key JARKCYVAAOWBJS-UHFFFAOYSA-N
InChl InChI=1S/C6H12O/c1-2-3-4-5-6-7/h6H,2-5H2,1H3
CAS Registry Number 66-25-1
IUPAC Systematic Name hexanal

Organ Location Map/System Distribution of Pungent Flavor Compounds’ Targets


Note: Known Targets (Gene) from 6952 literatures, DrugBank (http://www.drugbank.ca/), STITCH (http://stitch.embl.de/), ChEMBL (https://www.ebi.ac.uk/chembl/), Therapeutic Target Database (http://bidd.nus.edu.sg/group/ttd/), and Comparative Toxicogenomics Database (CTD, http://ctdbase.org/)


Related Pungent TCM

English Name Pinyin Name (Chinese Name) Latin Name Properties in TCM merdians View Graph
Common Ginger Dried RhizomeGan Jiang (干姜)Zingiberis RhizomaHot, PungentLung, Spleen, Stomach, Heart, KidneyView Graph
Allium sativumDa Suan(大蒜)GarlicWarm,PungentSpleen, Stomach, Kidney, LungView Graph
Chuanxiong (Wallich Ligusticum) Equivalent plantChuan Xiong (川芎)Ligusticum chuanxiong HortWarm, PungentLung, Spleen, StomachView Graph
Fresh Common GingerSheng Jiang (生姜)Zingiber Rhizoma RecensWarm, PungentLung, Spleen, StomachView Graph
CassiabarktreeRou Gui (肉桂)Cinnamomi CortexHot, Sweet, PungentLiver, Heart, Spleen, KidneyView Graph
Divaricate SaposhnikoviaFang Feng (防风)Saposhnikoviae RadixWarm, Pungent, SweetLung, Bladder, HeartView Graph
Lily Magnolia Buds Equivalent plant: Magnolia liliXin Yi (辛夷)Magnoliae FlosWarm, PungentLung, Spleen, StomachView Graph
Fortune Eupatorium Equivalent plant: Eupatorium fPei Lan(佩兰)Eupatorii HerbaNeural, PungentLung,Spleen,StomachView Graph
Siebold Wildginger Equivalent plant: Asarum heteroXi Xin (细辛)Asari Radix Et RhizomaWarm, PungentLung, Spleen, StomachView Graph
Black PepperHu Jiao (胡椒)Piperis FructusHot,PungentLarge Intestine, StomachView Graph
Tuber Onion SeedJiu Cai Zi (韭菜子)Allii Tuberosi SemenWarm, Sweet, PungentLiver, KidneyView Graph
Haichow ElsholtziaXiang Ru (香薷)Moslae HerbaMinor Warm,PungentLung, Spleen, StomachView Graph
Cassiabarktree TwigGui Zhi (桂枝)Cinnamomi RamulusWarm, Pungent, SweetLung, Bladder, HeartView Graph
Perilia FruitZi Su Zi (紫苏子)Perillae FructusWarm, PungentLung, Spleen, StomachView Graph
Bush RedpepperLa Jiao (辣椒)Capsici FructusHot, PungentLung, Spleen, Stomach, Heart, KidneyView Graph
Bugbane Equivalent plant: Cimicifuga dahurica, CiSheng Ma(升麻)Cimicifugae RhizomaCold, Sweet, PungentLung, Spleen, Large Intestine, StomachView Graph
Cacumen TamaricisXi He Liu(西河柳)Chinese Tamarisk TwigMild,Pungent,SweetLung,Stomach,HeartView Graph
Eucommia ulmoidesDu Zhong Ye(杜仲叶)Eucommia LeafWarm,PungentSpleen, Stomach, Kidney, LungView Graph
Common Aucklandia (Costustoot)Mu Xiang(木香)Aucklandiae RadixWarm, Bitter, PungentSpleen, Large Intestine, Stomach, Gallbladder, Three EndView Graph
Barbed SkullcapBan Zhi Lian(半枝莲)Scutellariae Barbatae HerbaCold, Bitter, PungentBladder, Spleen, Liver,StomachView Graph
Chinese Thorowax Equivalent plant: Bupleurum scorzChai Hu(柴胡)Bupleuri RadixMinor cold, Pungent, BitterLiver, Gallbladder, LungView Graph
Dichroa febrifugaChang Shan(常山)Antifebrile DichroaCold,Pungent,BitterLung,Liver,HeartView Graph
Motherwort FruitChong Wei Zi(茺蔚子)Leonuri FructusCold, Bitter, PungentBladder, Spleen, Liver,StomachView Graph
Doubleteeth Pubescent Angelica Equivalent plant: HDu Huo (独活)Angelicae Pubescentis RadixWarm, Pungent, BitterSpleen, LiverView Graph
Chinese Ephedra Equivalent plant: Ephedra equisetiMa Huang (麻黄)Ephedrae HerbaWarm, Pungent, Slightly BitterLung, BladderView Graph
Great Burdock FruitNiu Bang Zi(牛蒡子)Arctii FructusCold, Bitter, PungentBladder, Spleen, Liver,StomachView Graph
Dichroa febrifugaChang Shan(常山)Antifebrile DichroaCold,Pungent,BitterLung,Liver,HeartView Graph
Incised Notopterygium Equivalent plant: NotopteryQiang Huo(羌活)Notopterygii Rhizoma Et RadixWarm, Bitter, PungentSpleen, Large Intestine, Stomach, Gallbladder, Three EndView Graph
Common Japanese Clubmoss Equivalent plant: LycopodShen Jin Cao(伸筋草)Lycopodii HerbaWarm, Bitter, PungentLarge Intestine, StomachView Graph
Fresh Common GingerSheng Jiang (生姜)Zingiber Rhizoma RecensWarm, PungentLung, Spleen, StomachView Graph
Evodia rutaecarpaWu Zhu Yu(吴茱萸)Medicinal Evodia Equivalent plant: Evodia rutaecarPungent, bitter, hotLiver, spleen,stomachView Graph

Pharmacological action

Hexanal, also called hexanaldehyde or caproaldehyde is an alkyl aldehyde used in the flavor industry to produce fruity flavors.

Hexanal belong to Volatile C6- and C9-aldehydes and alcohols, and contributors to the characteristic odor of plants. They are widely used as food flavors

to reconstitute the “fresh green” odor of fruits and vegetables lost during processing. Hexanal is also n-Hexanal (hexanal), a straight-chain six-carbon (C6)-aldehyde, is mainly present in plants such as rice, tomatoes, and soybeans, and it is widely used as a flavoring agent along with other aromatic compounds to enhance the fresh green flavor. Hexanal strongly affects dopamine release from striatal slices and PC12 cells.

Hexanal is the most abundant product of lipid oxidation in meats and is often chosen as an index of the level of oxidation.

Hexanal has a grassy odor, whereas the C7 to C10 aldehydes share a primarily fatty odor and the higher aldehydes have a stronger fruity or citrus quality.

The citrusy note can be assumed to result from octanal, linalool and nonanal, whereas the green, grassy smelling pentanal and hexanal as well as the

savoury-like smelling sotolone are likely candidates for being responsible for the herb-like note.



Note: Click anywhere in the blank, you can drag the whole dynamic diagram. Click on a node, you can drag his location to see it more clearly. The blue circle represents pharmacology, toxicology, or daily use. Orange hexagon represents the pungent compounds.

References

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32 https://en.wikipedia.org/wiki/Hexanal