a-Pinene oxide

Product Information

Molecular Formula:
C10H16O
Molecular Weight:
152.23
Description
Alpha-pinene oxide is an epoxide of alpha-pinene. It has a role as a fragrance, a bacterial xenobiotic metabolite and a human metabolite. It is a pinane monoterpenoid and an epoxide. It derives from a hydride of an alpha-pinene.
Synonyms
.alpha.-Pinene epoxide (Isomer 1); .alpha.-Pinene epoxide (Isomer 2); 2,3-epoxy-pinan; 2,7,7-trimethyl-3-oxatricyclo(4.1.1.0(sup2,4))octane; 2-pineneoxide; 3-Oxatricyclo[4.1.1.0(2,4)]octane, 2,7,7-trimethyl-; 4))octane,2,7,7-trimethyl-3-oxatricyclo(4.1.1.0(sup
IUPAC Name
2,7,7-trimethyl-3-oxatricyclo[4.1.1.02,4]octane
Canonical SMILES
CC1(C2CC1C3(C(C2)O3)C)C
InChI
InChI=1S/C10H16O/c1-9(2)6-4-7(9)10(3)8(5-6)11-10/h6-8H,4-5H2,1-3H3
InChI Key
NQFUSWIGRKFAHK-UHFFFAOYSA-N
Boiling Point
102 - 103ºC at 30 mm Hg
Flash Point
150.8 ℃F - closed cup
Purity
97%
Density
0.964 g/mL at 25 °C(lit.)
Appearance
Liquid
Refractive Index
n20/D 1.469 (lit.)
LogP
2.01

Computed Properties

XLogP3
2.1
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
0
Exact Mass
152.120115130 g/mol
Monoisotopic Mass
152.120115130 g/mol
Topological Polar Surface Area
12.5Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
221
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
4
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-113880789-A Method for catalyzing epoxidation of alpha-pinene by amphiphilic catalyst 2021-10-08
CN-113292530-A Method for preparing cyclic carbonate from quaternary phosphonium salt 2021-04-30
CN-112608287-A Method for synthesizing epoxy pinane from pinene 2020-12-24
WO-2022049310-A1 Improved pharmaceutical formulations of glp-1 receptor agonists 2020-09-07
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
JP-2022039632-A Conductive polymer dispersion liquid and its manufacturing method, and a method for manufacturing a conductive film 2020-08-28
JP-2022035597-A Conductive polymer-containing liquid and its manufacturing method, and conductive film and its manufacturing method 2020-08-21
CN-114075323-A Masterbatch type thermosetting resin composition and thermosetting resin composition 2020-08-18
JP-2022034224-A Masterbatch type thermosetting resin composition and thermosetting resin composition 2020-08-18

Literatures

PMID Publication Date Title Journal
29968805 2018-07-03 Insights into myalgic encephalomyelitis/chronic fatigue syndrome phenotypes through comprehensive metabolomics Scientific reports
22791515 2012-10-01 Acid/vanadium-containing saponite for the conversion of propene into coke: potential flame-retardant filler for nanocomposite materials Chemistry, an Asian journal
22870865 2012-10-01 Essential oils from Schinus terebinthifolius leaves - chemical composition and in vitro cytotoxicity evaluation Pharmaceutical biology
22309032 2012-06-21 Heterogeneous reactions of epoxides in acidic media The journal of physical chemistry. A
20607162 2010-09-21 Autoxidation of alpha-pinene at high oxygen pressure Physical chemistry chemical physics : PCCP
20449393 2010-03-28 Chirality transition in the epoxidation of (-)-alpha-pinene and successive hydrolysis studied by Raman optical activity and DFT Physical chemistry chemical physics : PCCP
19447550 2009-12-01 Enhancement effect of terpenes on silver sulphadiazine permeation through third-degree burn eschar Burns : journal of the International Society for Burn Injuries
19727505 2009-09-28 Laboratory chamber studies on the formation of organosulfates from reactive uptake of monoterpene oxides Physical chemistry chemical physics : PCCP
19500172 2009-08-01 Secondary organic aerosol from alpha-pinene ozonolysis in dynamic chamber system Indoor air
19266193 2009-07-01 P450(BM-3)-catalyzed whole-cell biotransformation of alpha-pinene with recombinant Escherichia coli in an aqueous-organic two-phase system Applied microbiology and biotechnology
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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