n-Heneicosane

n-Heneicosane
Compound Structure:
Synonyms: Henicosane; HENEICOSANE; n-Heneicosane; Eicosane, methyl-; henicosan; (S)-(-)-2,2'-Bis(diphenylphosphino)-5,5',6,6',7,7',8,8'-octahydro-1,1'-binaphthyl (R)-H8-BINAP
Compound ID: NMPC-1309
PubChem ID:

12403

Molecular Formula: C21H44
Canonical SMILES: CCCCCCCCCCCCCCCCCCCCC
InChIKey: FNAZRRHPUDJQCJ-UHFFFAOYSA-N
About the compound:

Henicosane is an alkane that has 21 carbons and a straight-chain structure. It has been isolated from plants like Periplocalaevigata and Carthamustinctorius. It has a role as a pheromone, a plant metabolite and a volatile oil componen

GHS Hazard Statements

Not Classified

Reported as not meeting GHS hazard criteria by 94 of 96 companies (only ~ 2.1% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

First Aid

1. Eyes:

Check for and remove contact lenses.

Flush the eyes with water or saline for 20-30 minutes while contacting medical help.

Avoid applying any ointments, oils, or medications without a physician’s instructions.

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

2. Skin:

Rinse affected skin with water immediately, while removing all contaminated clothing.

Wash the skin thoroughly with soap and water.

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

3. Inhalation:

Leave the contaminated area immediately and breathe fresh air.

If respiratory symptoms develop, seek medical attention.

Rescuers should use adequate respiratory protection, ideally a Self-Contained Breathing Apparatus (SCBA), or otherwise the highest available level of protection.

4. Ingestion:

Do not induce vomiting.

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

If the victim is convulsing or unconscious, keep the airway open, position them with the head lower than the body, and do not administer anything by mouth.

Transport the victim 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

296.6 g/mol

XLogP3

11

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

0

Rotatable Bond Count

18

Exact Mass

296.344301404 g/mol

Monoisotopic Mass

296.344301404 g/mol

Topological Polar Surface Area

0Ų

Heavy Atom Count

21

Formal Charge

0

Complexity

143

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

Crystals

Boiling Point

359 °C

Melting Point

40.4 °C

Solubility 

Slightly soluble in ethanol; soluble in petroleum ether

Vapor Pressure

8.73X10-5 mm Hg at 25 °C (extrapolated)

Source: PubChem                        

Source Species: Azanza garckeana
Eucalyptus cloeziana
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