1-Undecene - CAS 821-95-4

Catalog:	BB036771
Product Name:	1-Undecene
CAS:	821-95-4
Synonyms:	undec-1-ene

Technical Data

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Computed Properties

IUPAC Name:	undec-1-ene
Description:	1-Undecene (CAS# 821-95-4) is a pharmaceutical intermediate and a useful reagent for organic synthesis.
Molecular Weight:	154.29
Molecular Formula:	C11H22
Canonical SMILES:	CCCCCCCCCC=C
InChI:	InChI=1S/C11H22/c1-3-5-7-9-11-10-8-6-4-2/h3H,1,4-11H2,2H3
InChI Key:	DCTOHCCUXLBQMS-UHFFFAOYSA-N
Boiling Point:	192-193 °C (lit.)
Melting Point:	-49 °C (lit.)
Flash Point:	160 °F
Purity:	99 %
Density:	0.75 g/cm³
Appearance:	Colorless liquid
MDL:	MFCD00008956
LogP:	4.31310
Vapor Pressure:	0.49 [mmHg]

Publication Number	Title	Priority Date
KR-101957102-B1	Marker composition for sensing odor during decay period in paprika comprising volatile compounds emitted by paprika inoculated with fungal pathogens	20180813
EP-3665257-A1	Compositions comprising odorants	20170808
US-2020157461-A1	Compositions comprising odorants	20170808
WO-2019030122-A1	COMPOSITIONS COMPRISING AN ODORIZING MATERIAL	20170808
US-11072761-B2	Compositions comprising odorants	20170808

PMID	Publication Date	Title	Journal
22291900	20120101	Expression in antennae and reproductive organs suggests a dual role of an odorant-binding protein in two sibling Helicoverpa species	PloS one
21972174	20111101	Simultaneous determination of eight active components in Houttuynia cordata injection and its quality control in productive process	Journal of separation science
21984383	20111101	A miniemulsion polymerization technique for encapsulation of silicon quantum dots in polymer nanoparticles	Nanoscale
21538800	20111001	Development of semiochemical attractants for monitoring bean seed beetle, Bruchus rufimanus	Pest management science
21751280	20110915	Synthesis of cyclopentadienyl capped polyethylene and subsequent block copolymer formation via hetero Diels-Alder (HDA) chemistry	Macromolecular rapid communications

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	74.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	154.172150702
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	154.172150702
Rotatable Bond Count:	8
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	6.2