Heneicosane - CAS 629-94-7

Technical Data

IUPAC Name:	henicosane
Description:	Heneicosane, a long chain saturated aliphatic hydrocarbon isolated from Streptomyces philanthi RL-1-178 or Serapias cordigera, is a pheromone that inhibits aflatoxin production.
Molecular Weight:	296.57
Molecular Formula:	C21H44
Canonical SMILES:	CCCCCCCCCCCCCCCCCCCCC
InChI:	InChI=1S/C21H44/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h3-21H2,1-2H3
InChI Key:	FNAZRRHPUDJQCJ-UHFFFAOYSA-N
Boiling Point:	356.1±5.0°C at 760 mmHg
Melting Point:	39-41°C
Flash Point:	113 °C (235 °F) - closed cup
Purity:	≥98%
Density:	0.792 g/cm³
Solubility:	Soluble in Chloroform, Hexane
Appearance:	Waxy Solid
Storage:	Store at 2-8°C
MDL:	MFCD00009346
LogP:	8.43810
Refractive Index:	1.442
Stability:	Stable. Combustible. Incompatible with strong oxidizing agents.
Vapor Pressure:	8.73X10-5 mm Hg at 25 °C (extrapolated)

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PMID	Publication Date	Title	Journal
22129414	20111201	Oviposition habitat selection by Anopheles gambiae in response to chemical cues by Notonecta maculata	Journal of vector ecology : journal of the Society for Vector Ecology
22416680	20111101	Comparative GC/MS analysis of essential oils extracted by 3 methods from the bud of Citrus aurantium L. var. amara Engl	Journal of food science
21711177	20111001	Volatile constituents of essential oil and rose water of damask rose (Rosa damascena Mill.) cultivars from North Indian hills	Natural product research
21601302	20110715	Chemical composition, cytotoxicity effect and antimicrobial activity of Ceratonia siliqua essential oil with preservative effects against Listeria inoculated in minced beef meat	International journal of food microbiology
21594158	20110218	Volatile compounds released by disturbed and undisturbed adults of Anchomenus dorsalis (Coleoptera, Carabidae, Platynini) and structure of the pygidial gland	ZooKeys

Complexity:	143
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	296.344301404
Formal Charge:	0
Heavy Atom Count:	21
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	296.344301404
Rotatable Bond Count:	18
Topological Polar Surface Area:	0
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	11