4-Methoxy-6-methyl-2H-pyran-2-one

Modify Date: 2025-08-26 07:24:11

4-Methoxy-6-methyl-2H-pyran-2-one Structure
4-Methoxy-6-methyl-2H-pyran-2-one structure
Common Name 4-Methoxy-6-methyl-2H-pyran-2-one
CAS Number 672-89-9 Molecular Weight 140.13700
Density 1.14g/cm3 Boiling Point 280.3ºC at 760 mmHg
Molecular Formula C7H8O3 Melting Point 83-86ºC
MSDS N/A Flash Point 112.6ºC

 Names

Name 4-Methoxy-6-Methyl-2H-Pyran-2-One
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.14g/cm3
Boiling Point 280.3ºC at 760 mmHg
Melting Point 83-86ºC
Molecular Formula C7H8O3
Molecular Weight 140.13700
Flash Point 112.6ºC
Exact Mass 140.04700
PSA 39.44000
LogP 0.95680
Appearance of Characters Solid
Index of Refraction 1.492
InChIKey MTZAUZNQAMNFME-UHFFFAOYSA-N
SMILES COc1cc(C)oc(=O)c1
Water Solubility Poorly soluble in water.

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UQ1225500
CHEMICAL NAME :
2H-Pyran-2-one, 4-methoxy-6-methyl-
CAS REGISTRY NUMBER :
672-89-9
BEILSTEIN REFERENCE NO. :
0115970
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C7-H8-O3
MOLECULAR WEIGHT :
140.15
WISWESSER LINE NOTATION :
T6OVJ DO1 F1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
820 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 19,617,1969
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
650 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 19,617,1969

 Safety Information

WGK Germany 3
RTECS UQ1225500
HS Code 2932999099

 Synthetic Route

 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%

 4-Methoxy-6-methyl-2H-pyran-2-oneBioassay

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 Synonyms

MFCD00006640
4-methoxy-6-methylpyran-2-one
EINECS 211-600-9
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