n-Nonaldehyde

n-Nonaldehyde
Compound Structure:
Synonyms: Nonanal; 1-Nonanal; Pelargonaldehyde; Nonanaldehyde; Nonyl aldehyde; Nonaldehyde; n-Nonaldehyde; Nonylic aldehyde; n-Nonanal; Nonylaldehyde; Pelargonic aldehyde; 1-Nonaldehyde; Nonanoic aldehyde; Aldehyde C-9; 1-Nonyl aldehyde; C-9 aldehyde
Compound ID: NMPC-1318
PubChem ID:

31289

Molecular Formula: C9H18O
Canonical SMILES: CCCCCCCCC=O
InChIKey: GYHFUZHODSMOHU-UHFFFAOYSA-N
About the compound:

Nonanal is a clear brown liquid characterized by a rose-orange odor. Insoluble in water. Found in at least 20 essential oils, including rose and citrus oils and several species of pine oil. Nonanal is a saturated fatty aldehyde formally arising from reduction of the carboxy group of nonanoic acid. Metabolite observed in cancer metabolism. It has a role as a human metabolite and a plant metabolite. It is a saturated fatty aldehyde, a n-alkanal and a medium-chain fatty aldehyde. It is functionally related to a nonanoic acid.

GHS Hazard Statements

H315 (20.59%): Causes skin irritation [Warning Skin corrosion/irritation]

H319 (19.88%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

H412 (96.97%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

First Aid

1. Eyes:

Remove contact lenses if present.

Flush eyes with water or saline for 20-30 minutes while simultaneously contacting medical services.

Do not apply ointments, oils, or medications without physician approval.

Transport the victim to a hospital immediately, even without visible symptoms.

2. Skin:

Immediately rinse affected skin with water, removing all contaminated clothing.

Wash thoroughly with soap and water.

If symptoms like redness or irritation appear, immediately contact a physician and prepare for hospital transport.

3. Inhalation:

Exit the contaminated area and breathe fresh air.

If respiratory symptoms develop, contact a physician and prepare for hospital transport.

Use appropriate respiratory protection, such as a Self-Contained Breathing Apparatus (SCBA), or a protective level advised under Protective Clothing.

4. Ingestion:

Do not induce vomiting.

If the victim is conscious and not convulsing, give water to dilute the chemical and contact medical services.

If the victim is convulsing or unconscious, keep the airway open, position them with the head lower than the body, and avoid oral intake.

Transport to a hospital immediately (NTP, 1992).

National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina

Properties:

Chemical and Physical Properties

Computed Properties

Property Name

Property Value

Molecular Weight

142.24 g/mol

XLogP3-AA

3.3

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

7

Exact Mass

142.135765193 g/mol

Monoisotopic Mass

142.135765193 g/mol

Topological Polar Surface Area

17.1Ų

Heavy Atom Count

10

Formal Charge

0

Complexity

69.1

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

Nonanal is a clear brown liquid characterized by a rose-orange odor. Insoluble in water. Found in at least 20 essential oils, including rose and citrus oils and several species of pine oil.

Boiling Point

195 °C

Melting Point

-19.3 °C

Density

0.8264 g/cu cm at 22 °C

Solubility 

soluble in alcohol, most fixed oils, propylene glycol; insoluble in glycerol

Vapor Pressure

0.37 [mmHg]

Source: PubChem       

Source Species: Bryophyllum pinnatum
Hirsute Palisota
Securidata longependuculat
Acalypha segetalis
Morinda lucida
Luffa cylindrica
Plumeria alba
Pteris togoensis
Pyrenacantha staudtii
Tecoma stans
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