4-methyloxane-2,6-dione

Product Information

Molecular Formula:
C6H8O3
Molecular Weight:
128.127
Description
Stability: Moisture Sensitive. Applications: 3-​Methylglutaric Anhydride is a reagent used in the synthesis of oxoeicosanoid receptor antagonists which are involved in mediating stimulatory effects on cell types involved in mediating immunity-based inflammatory reactions.
Synonyms
4-methyloxane-2,6-dione; 4-methyloxane-2,6-dione
IUPAC Name
4-methyloxane-2,6-dione
Canonical SMILES
CC1CC(=O)OC(=O)C1
InChI
InChI=1S/C6H8O3/c1-4-2-5(7)9-6(8)3-4/h4H,2-3H2,1H3
InChI Key
MGICRVTUCPFQQZ-UHFFFAOYSA-N
Boiling Point
180-182 °C25 mmHg (lit.)
Melting Point
42-46 °C (lit.)
Flash Point
>230 °F
Purity
98 %
Density
1.2072 (rou gh estimate)
Appearance
Off-white solid
Storage
-20 °C Freezer, Under inert atmosphere
Refractive Index
1.4585 (estimate)
LogP
0.48610

Safety Information

Hazards
H315 - H319 - H335
Precautionary Statement
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning

Computed Properties

XLogP3
0.3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
0
Exact Mass
128.047344113 g/mol
Monoisotopic Mass
128.047344113 g/mol
Topological Polar Surface Area
43.4Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
134
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

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US-2021371731-A1 Method for making photochromic contact lenses 2020-06-02
WO-2021245551-A1 Method for making photochromic contact lenses 2020-06-02
WO-2021247532-A1 Flux-compatible epoxy-anhydride adhesive compositions for low-gap underfill applications 2020-06-01
WO-2021231998-A1 High-temperature, thermally-insulative laminates including aerogel layers 2020-05-15
WO-2021232001-A1 Low-dielectric constant, low-dissipation factor laminates including aerogel layers 2020-05-15

Literatures

PMID Publication Date Title Journal
23020577 2012-10-19 Studies on catalytic enantioselective total synthesis of caprazamycin B: construction of the western zone The Journal of organic chemistry
20414238 2010-05-01 Synergistic organocatalysis in the kinetic resolution of secondary thiols with concomitant desymmetrization of an anhydride Nature chemistry
18755512 2008-12-01 Novel bis(carboxylato)dichlorido(ethane-1,2-diamine)platinum(IV) complexes with exceptionally high cytotoxicity Journal of inorganic 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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