Hentriacontane

Hentriacontane
Compound Structure:
Synonyms: Hentriacontane; Untriacontane; n-Hentriacontanone; Hentriacontan
Compound ID: NMPC-1094
PubChem ID:

12410

Molecular Formula: C31H64
Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
InChIKey: IUJAMGNYPWYUPM-UHFFFAOYSA-N
About the compound:

Hentriacontane, also called untriacontane, is a solid, long-chain alkane hydrocarbon with the structural formula CH3(CH2)29CH3. It is the main component of Paraffin wax. It is found in a variety of plants, including peas (Pisumsativum), Acacia senegal, Gymnemasylvestre and others, and also comprises about 8–9% of beeswax. It has 10,660,307,791 constitutional isomers.[4]

Hazard Statements

/Higher alkanes/ may cause eye and skin irritation.

First Aid

For immediate first aid:

• Ensure adequate decontamination.

• If not breathing, perform artificial respiration using appropriate equipment.

• Flush contaminated eyes with gently flowing water.

• Do not induce vomiting; if vomiting occurs, position the patient to prevent aspiration.

• Maintain normal body temperature and seek medical attention.

For basic treatment:

• Establish airway, suction if necessary.

• Assist ventilation if needed, administer oxygen.

• Monitor for pulmonary edema, treat as necessary.

• Treat eye contamination by flushing with water or saline.

• Rinse mouth and administer water for ingestion, administer activated charcoal.

• Treat frostbite with rapid rewarming techniques.

For advanced treatment:

• Consider intubation for airway control in severe cases.

• Use positive-pressure ventilation if beneficial.

• Monitor cardiac rhythm, treat arrhythmias.

• Start IV fluid administration, monitor for signs of hypovolemia or fluid overload.

• Treat seizures with appropriate medication.

• Use proparacaine hydrochloride for eye irrigation.

Emergency and supportive measures:

• Provide basic supportive care for symptomatic patients.

• Monitor and admit symptomatic patients to intensive care if necessary.

• Use caution with epinephrine and beta-adrenergic medications.

• Manage pulmonary aspiration symptoms as they arise.

• Treat ingestion and injection cases accordingly.

Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

436.8 g/mol

XLogP3

16.4

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

0

Rotatable Bond Count

28

Exact Mass

436.500802041 g/mol

Monoisotopic Mass

436.500802041 g/mol

Topological Polar Surface Area

0Ų

Heavy Atom Count

31

Formal Charge

0

Complexity

254

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

Solid

Boiling Point

438 °C

Melting Point

68 °C

Density

Density: 0.781 g/cu cm at 68 °C

Solubility 

Slightly soluble in ethanol, benzene, chloroform; soluble in petroleum ether

Vapor Pressure

1.40X10-11 mm Hg at 25 °C (Extrapolated)

Source: PubChem                   

Source Species: Mariscus alternifolius
Tithonia rotundifolia
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