2,6-Dimethyl-γ-pyrone

Names

[ Name ]:
2,6-Dimethyl-γ-pyrone

[Synonym ]:
4H-Pyran-4-one, 2,6-dimethyl-
EINECS 213-719-1
2,6-dimethyl-4-pyrone
2,6-Dimethyl-γ-pyrone
2,6-dimethylpyran-4-one
2,6-Dimethyl-Gamma-Pyrone
2,6-Dimethyl-4H-pyran-4-one
MFCD00006579

Biological Activity

[Description]:

2,6-Dimethyl-4H-pyran-4-one is a biochemical reagent that can be used as a biological material or organic compound for life science related research.

[Related Catalog]:

Research Areas >> Others

[In Vitro]

2,6-Dimethyl-4-pyrone 用作化学和有机中间体。可用于农药、医药、染料等领域。

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
249.0±0.0 °C at 760 mmHg

[ Melting Point ]:
133-137 °C(lit.)

[ Molecular Formula ]:
C₇H₈O₂

[ Molecular Weight ]:
124.14

[ Flash Point ]:
103.4±12.3 °C

[ Exact Mass ]:
124.052429

[ PSA ]:
30.21000

[ LogP ]:
0.10

[ Vapour Pressure ]:
0.0±0.5 mmHg at 25°C

[ Index of Refraction ]:
1.485

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UQ0780000

CHEMICAL NAME :: 4H-Pyran-4-one, 2,6-dimethyl-

CAS REGISTRY NUMBER :: 1004-36-0

BEILSTEIN REFERENCE NO. :: 0107418

LAST UPDATED :: 199612

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C7-H8-O2

MOLECULAR WEIGHT :: 124.15

WISWESSER LINE NOTATION :: T6O DVJ B1 F1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1670 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: SKEZAP Shokuhin Eiseigaku Zasshi. Food Hygiene Journal. (Nippon Shokuhin Eisei Gakkai c/o Shokuhin Eisei Senta, 2-6-1 Jingumae, Shibuya-ku, Tokyo 150, Japan) V.1- 1960- Volume(issue)/page/year: 12,520,1971

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 56 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#01722

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xn:Harmful;

[ Risk Phrases ]:
R22

[ Safety Phrases ]:
S36/37

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
UQ0780000

[ HS Code ]:
29329995

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Customs

[ HS Code ]: 2932999099

[ Summary ]:
2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Articles

In silico identification and biochemical characterization of novel inhibitors of NQO1.

Bioorg. Med. Chem. Lett. 16 , 6246-54, (2006)

From in silico docking and COMPARE analysis, novel inhibitors of human NAD(P)H quinone oxidoreductase (NQO1) have been identified from the NCI compound database, the most potent of which has an observ...