1,2-Heptylene Oxide

Product Information

Molecular Formula:
C7H14O
Molecular Weight:
114.19
Description
1,2-Heptylene Oxide, a synthetic construct, finds principal function as an interlinked conduit in pharmaceutical matrices. It is essential in the manufacture of specialized antifungal and antibacterial pharmaceuticals, aiding in the development of treatments for a variety of fungal and bacterial diseases.
Synonyms
1,2-Heptylene Oxide
IUPAC Name
2-pentyloxirane
Canonical SMILES
CCCCCC1CO1
InChI
InChI=1S/C7H14O/c1-2-3-4-5-7-6-8-7/h7H,2-6H2,1H3
InChI Key
NMOFYYYCFRVWBK-UHFFFAOYSA-N
Boiling Point
144 ℃
Flash Point
34 ℃
Purity
>96.0%(GC)
Density
0.84
Appearance
Colorless to Almost colorless clear liquid
Refractive Index
1.41

Safety Information

Hazards
H226:
Flammable liquid and vapour.
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Precautionary Statement
P210:
Keep away from heat, sparks, open flames, hot surfaces. No smoking.
P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P303+P361+P353:
IF ON SKIN (or hair):
Take off immediately all contaminated clothing. [As modified by IV ATP].
Rinse skin with water/shower.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P370+P378:
In case of fire:
Use for extinction:

Computed Properties

XLogP3
2.5
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
4
Exact Mass
114.104465066 g/mol
Monoisotopic Mass
114.104465066 g/mol
Topological Polar Surface Area
12.5Ų
Heavy Atom Count
8
Formal Charge
0
Complexity
61.4
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
CN-112438257-A Surfactant and application thereof in oil-based pesticide formulation 2020-12-08
CN-111919848-A Fungicide containing kasugamycin and preparation method thereof 2020-09-22
CN-111919848-B Fungicide containing kasugamycin and preparation method thereof 2020-09-22
CN-112358919-A Organic solvent type cleaning agent 2020-09-15
CN-113710788-A Solvent composition and use thereof 2020-09-03
WO-2022049797-A1 Solvent composition and application therefor 2020-09-03
EP-3960783-A1 Isocyanate-terminated prepolymers based on polyoxymethylene-polyoxyalkylene block copolymers, method for their preparation and their use 2020-09-01
WO-2022049012-A1 Isocyanate-terminated prepolymers based on polyoxymethylene-polyoxyalkylene block copolymers, process for the preparation and use thereof 2020-09-01
CN-111820221-A Insecticidal composition containing flonicamid and pyridaben and application thereof 2020-08-25
WO-2022045022-A1 Aqueous resin crosslinking agent, aqueous resin crosslinking agent-containing liquid, and aqueous resin composition 2020-08-25

Literatures

PMID Publication Date Title Journal
14586110 2003-10-01 Synthesis of the racemate and both enantiomers of massoilactone Bioscience, biotechnology, and biochemistry
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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