Heptenal

Heptenal
Compound Structure:
Synonyms: Heptanal; Heptaldehyde; Enanthaldehyde; n-Heptaldehyde; Enanthal; N-HEPTANAL; Heptyl aldehyde; Oenanthaldehyde; n-Heptylaldehyde; Oenanthal; Oenanthol; Enanthic aldehyde; Enanthole; Heptylaldehyde; 1-Heptanal; Heptanal (natural); heptan-1-al; Heptanal-d14
Compound ID: NMPC-1107
PubChem ID:

8130
Molecular Formula: C7H14O
Canonical SMILES: CCCCCCC=O
InChIKey: FXHGMKSSBGDXIY-UHFFFAOYSA-N
About the compound:

N-heptaldehyde appears as a colorless, oily liquid with a penetrating fruity odor. Insoluble in water and less dense than water. Hence floats on water. Used to make perfumes and pharmaceuticals. Heptanal is an n-alkanal resulting from the oxidation of the alcoholic hydroxy group of heptan-1-ol to the corresponding aldehyde. An endogenous aldehyde coming from membrane lipid oxidation, it is found in the blood of lung cancer patients and has been regarded as a potential biomarker of lung cancer. It has a role as a biomarker. It is a saturated fatty aldehyde, a n-alkanal and a medium-chain fatty aldehyde.

GHS Hazard Statements

• H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

• H315 (99.82%): Causes skin irritation [Warning Skin corrosion/irritation]

• H319 (91.89%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

114.19 g/mol

XLogP3

2.3

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

5

Exact Mass

114.104465066 g/mol

Monoisotopic Mass

114.104465066 g/mol

Topological Polar Surface Area

17.1Ų

Heavy Atom Count

8

Formal Charge

0

Complexity

50.3

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Physical Description

N-heptaldehyde appears as a colorless, oily liquid with a penetrating fruity odor. Insoluble in water and less dense than water. Hence floats on water. Used to make perfumes and pharmaceuticals.

Boiling Point

152.8 °C

Melting Point

-43.3 °C

Density

0.814-0.819

Solubility 

Slightly soluble in carbon tetrachloride; miscible with ethanol, ethyl ether

Vapor Pressure

3.52 [mmHg]

Source: PubChem            
Source Species: Hirsute Palisota
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