(Z)-11-Hexadecenal

(Z)-11-Hexadecenal
Compound Structure:
Synonyms: (Z)-11-Hexadecenal;cis-11-Hexadecenal;(Z)-Hexadec-11-enal; Chokegard
Compound ID: NMPC-063
PubChem ID:

5364495

Molecular Formula: C16H30O
Canonical SMILES: CCCCC=CCCCCCCCCCC=O
InChIKey: AMTITFMUKRZZEE-WAYWQWQTSA-N
About the compound:

(Z)-Hexadec-11-enal, characterized by a double bond at position 11 in the cis-stereoisomer configuration, serves as a prominent component of pheromones in male Helicoverpa zea antennal preparations. It fulfills dual roles as both a pheromone and an epitope. Additionally, this natural compound is present in various organisms, including Diatraea saccharalis and Heliothis maritima.

GHS Hazard Statements

H304 (43.72%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]

H315 (65.33%): Causes skin irritation [Warning Skin corrosion/irritation]

H317 (31.66%): May cause an allergic skin reaction [Warning Sensitization, Skin]

H319 (65.33%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

H332 (34.67%): Harmful if inhaled [Warning Acute toxicity, inhalation]

H335 (64.82%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

H400 (96.98%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

H410 (75.38%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]


Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

238.41 g/mol

XLogP3-AA

6.1

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

13

Exact Mass

238.229665576 g/mol

Monoisotopic Mass

238.229665576 g/mol

Topological Polar Surface Area

17.1Ų

Heavy Atom Count

17

Formal Charge

0

Complexity

172

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

1

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem

Source Species:
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