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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