Tridecanal

Tridecanal
Compound Structure:
Synonyms: TRIDECANAL ;10486-19-8; Tridecyl aldehyde ;Tridecanaldehyde ;1-Tridecanal
Compound ID: NMPC-1568
PubChem ID:

25311
Molecular Formula: C13H26O
Canonical SMILES: CCCCCCCCCCCCC=O
InChIKey: BGEHHAVMRVXCGR-UHFFFAOYSA-N
About the compound:

Tridecanal is a long-chain fatty aldehyde that is tridecane in which two hydrogens attached to a terminal carbon are replaced by an oxo group. It has a role as a human metabolite and a volatile oil component. It is a saturated fatty aldehyde, a n-alkanal and a long-chain fatty aldehyde. It derives from a hydride of a tridecane.

GHS Hazard Statements

• H314 (17.78%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

• H315 (41.48%): Causes skin irritation [Warning Skin corrosion/irritation]

• H318 (17.78%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

• H319 (82.22%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

• H335 (57.78%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

• H411 (40%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

198.34 g/mol

XLogP3-AA

5.4

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

11

Exact Mass

198.198365449 g/mol

Monoisotopic Mass

198.198365449 g/mol

Topological Polar Surface Area

17.1Ų

Heavy Atom Count

14

Formal Charge

0

Complexity

110

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

Liquid

Boiling Point

132.00 to 136.00 °C. @ 8.00 mm Hg

Melting Point

14 °C

Source:PubChem
Source Species: Morinda lucida
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