1,2-Epoxyhexane

Product Information

Molecular Formula:
C6H12O
Molecular Weight:
100.16
Description
Applications: 1,2-Epoxyhexane is a useful research chemical.
Synonyms
BUTYLOXIRAN; BUTYLOXIRANE; 1-HEXENE OXIDE; 1,2-HEXYLENE OXIDE; 1,2-EPOXYHEXAN; 1,2-EPOXYHEXANE
IUPAC Name
2-butyloxirane
Canonical SMILES
CCCCC1CO1
InChI
InChI=1S/C6H12O/c1-2-3-4-6-5-7-6/h6H,2-5H2,1H3
InChI Key
WHNBDXQTMPYBAT-UHFFFAOYSA-N
Boiling Point
117.1°C at 760mmHg
Flash Point
59.0 °CF - closed cup
Purity
N/A
Density
0.833 g/mL at 20 °C(lit.)
Appearance
clear colorless liquid
Storage
2-8°C
Refractive Index
n20/D 1.406 (lit.)

Safety Information

Hazards
H225 - H302 - H315 - H319 - H335
Precautionary Statement
P210 - P301 + P312 + P330 - P302 + P352 - P305 + P351 + P338

Computed Properties

XLogP3
1.9
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
3
Exact Mass
100.088815002 g/mol
Monoisotopic Mass
100.088815002 g/mol
Topological Polar Surface Area
12.5Ų
Heavy Atom Count
7
Formal Charge
0
Complexity
52.1
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
WO-2021122402-A1 Method for producing polyoxymethylene polyoxyalkylene copolymers 2019-12-18
WO-2021122431-A1 Polyurethane foams based on polyether carbonate polyols 2019-12-18
EP-3835378-A1 Two component (2k) curable adhesive composition 2019-12-13
EP-3835381-A1 Two component (2k) curable adhesive composition 2019-12-13
EP-3835383-A1 One component (1k) curable adhesive composition 2019-12-13
EP-3835386-A1 Two component (2k) curable adhesive composition 2019-12-13
WO-2021117880-A1 Photopolymerization initiator 2019-12-13
EP-3831862-A1 One component (1k) composition based on epoxy resin 2019-12-04
EP-3831863-A1 One component (1k) composition based on epoxy resin 2019-12-04
WO-2021110589-A1 Process for producing polyether carbonate polyols 2019-12-04

Literatures

PMID Publication Date Title Journal
22555910 2012-07-01 Development of a whole-cell biocatalyst co-expressing P450 monooxygenase and glucose dehydrogenase for synthesis of epoxyhexane Applied microbiology and biotechnology
21515382 2011-09-01 Cloning and characterization of an epoxide hydrolase from Cupriavidus metallidurans-CH34 Protein expression and purification
21563767 2011-06-06 Aluminum nanoparticles capped by polymerization of alkyl-substituted epoxides: ratio-dependent stability and particle size Inorganic chemistry
20023998 2010-01-14 Olefin metathesis as a tool for multinuclear Co(III)salen catalyst construction: access to cooperative catalysts Dalton transactions (Cambridge, England : 2003)
19583230 2009-08-18 Capping and passivation of aluminum nanoparticles using alkyl-substituted epoxides Langmuir : the ACS journal of surfaces and colloids
19147149 2009-02-13 Amphiphilic polymers based on higher alkylene oxides Synthesis and characterization by different chromatographic techniques Journal of chromatography. A
19007156 2008-12-15 An exploration of the coupling reactions of epoxides and carbon dioxide catalyzed by tetramethyltetraazaannulene chromium(III) derivatives: formation of copolymers versus cyclic carbonates Inorganic chemistry
18599069 2008-08-01 New method for determination of epichlorohydrin in epoxy-coated cans by oxolane derivatization and gas chromatography-mass spectrometry Journal of chromatography. A
18756107 2008-08-01 A cold-adapted epoxide hydrolase from a strict marine bacterium, Sphingophyxis alaskensis Journal of microbiology and biotechnology
16200537 2005-11-01 Improved catalytic activity of homochiral dimeric cobalt-salen complex in hydrolytic kinetic resolution of terminal racemic epoxides Chirality
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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