正二十烷

Description

n-Heneicosane · CAS 629-94-7 · C21H44. UNII I93S5U5DMP. Boiling Point: 673.7 °F at 760 mmHg (NTP, 1992); Boiling Point: 359 °C; Melting Point: 104.9 °F (NTP, 1992).

Identification

CAS Registry Number	629-94-7
PubChem CID	12403
Molecular formula	C21H44
IUPAC name	henicosane
UNII (FDA)	I93S5U5DMP

Computed Descriptors

Molecular Weight	296.6
XLogP3	11
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	18
Exact Mass	296.344301404
Monoisotopic Mass	296.344301404
Topological Polar Surface Area	0
Heavy Atom Count	21
Formal Charge	0

Physical & Chemical Properties

Boiling Point	673.7 °F at 760 mmHg (NTP, 1992)
Boiling Point	359 °C
Melting Point	104.9 °F (NTP, 1992)
Melting Point	40.4 °C
Flash Point	113 °C (235 °F) - closed cup
Density	0.7919 g/cu cm at 20 °C

Physical description & handling notes

• Crystals. (NTP, 1992)
• Solid; [CAMEO] White crystalline solid; [Alfa Aesar MSDS]
• Crystals from water
• White solid
• Odorless
• In water, 2.9X10-8 mg/L at 25 °C (extrapolated)

Regulatory Status

GHS notification summary	97.9% (94 / 96)

GHS Hazard Classification

GHS notification summary	97.9% (94 / 96)

Documented Uses

• They are used mainly in applications for which isoalkanes are not acceptable for biological reasons, e.g., the production of detergents or proteins. /Higher n-Alkanes/
• Solid n-alkanes (paraffin waxes) are used in a variety of applications, e.g., ... oxidation, and chlorination reactions. /Higher n-Alkanes/
• Aedes aegypti mosquito is one of the most notorious vectors of dangerous diseases like dengue hemorrhagic fever and chikangunya. One method of control of the vectors is by the use of semiochemicals or pheromones. The pheromone n-heneicosane (C21) has been proved to be effective in attracting the female Aedes aegypti to lay eggs in the treated water and the growth of the larva is controlled by insect growth regulator diflubenzuron (DB).
• The liquefaction of coal provides the greatest variety of saturated hydrocarbons. The Fischer-Tropsch synthesis produces alkanes from syngas (CO + H2) in the range C1 to C30 or higher depending on the process variant: depending on the catalyst employed, the synthesis yields predominantly liquid hydrocarbons in the gasoline range, along with gases from C1 to C4 when iron-based catalysts are used, while cobalt-based catalysts produce longer chain hydrocarbons in the diesel and wax range that often undergo, depending
• Suitable sources for n-alkanes with more than six carbon atoms are the appropriate petroleum distillate fractions, from which the n-paraffins can be isolated in high isomeric purity (= 95% linearity) by selective separation techniques, especially fractional distillation. /Higher n-Alkanes/
• Gas-phase dehydrogenation of n-alkanes over noble-metal catalysts yield the corresponding n-alkenes at low conversion rates (ca. 10%) with predominantly internal double bonds. The corresponding alkenes can be isolated in high purity by selective molecular-sieve processes. /Higher n-Alkanes/

Synonyms

HENEICOSANE; n-Heneicosane; Henicosane; 629-94-7; I93S5U5DMP; DTXSID9047097; CHEBI:32931; RefChem:38740; DTXCID7027097; 211-118-9; MFCD00009346; UNII-I93S5U5DMP; Heneicosane, analytical standard; CH3-[CH2]19-CH3; HY-W089845; H0367

Frequently Asked Questions

What are the CAS number and molecular formula of n-Heneicosane?

CAS 629-94-7; molecular formula C21H44; molecular weight — g/mol.

What other names is n-Heneicosane known by?

HENEICOSANE, n-Heneicosane, Henicosane, 629-94-7, I93S5U5DMP, DTXSID9047097.

Is n-Heneicosane classified as hazardous?

97.9% of GHS notifications report no hazard classification (94 of 96).

What are the key physical properties of n-Heneicosane?

Boiling Point: 673.7 °F at 760 mmHg (NTP, 1992); Boiling Point: 359 °C; Melting Point: 104.9 °F (NTP, 1992); Melting Point: 40.4 °C.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.