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
Palisota hirsuta
Securidata longependuculat
Acalypha segetalis
Morinda lucida
Luffa cylindrica
Plumeria alba
Pteris togoensis
Pyrenacantha staudtii
Tecoma stans
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