2(5H)-Furanone,5-methyl

Modify Date: 2025-08-22 16:05:15

2(5H)-Furanone,5-methyl Structure
2(5H)-Furanone,5-methyl structure
 Common Name 2(5H)-Furanone,5-methyl
CAS Number 591-11-7 Molecular Weight 98.09990
Density 1.095g/cm3 Boiling Point 210ºC at 760 mmHg
Molecular Formula C5H6O2 Melting Point N/A
MSDS N/A Flash Point 78.9ºC

 Names

Name β-angelica lactone
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.095g/cm3
Boiling Point 210ºC at 760 mmHg
Molecular Formula C5H6O2
Molecular Weight 98.09990
Flash Point 78.9ºC
Exact Mass 98.03680
PSA 26.30000
LogP 0.48790
Index of Refraction 1.459
InChIKey BGLUXFNVVSVEET-UHFFFAOYSA-N
SMILES CC1C=CC(=O)O1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
LU5100000
CHEMICAL NAME :
2(5H)-Furanone, 5-methyl-
CAS REGISTRY NUMBER :
591-11-7
BEILSTEIN REFERENCE NO. :
0108058
LAST UPDATED :
199709
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C5-H6-O2
MOLECULAR WEIGHT :
98.11

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 :
750 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
APTOA6 Acta Pharmacologica et Toxicologica. (Copenhagen, Denmark) V.1-59, 1945-86. For publisher information, see PHTOEH Volume(issue)/page/year: 2,109,1946
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - cat
DOSE/DURATION :
500 mg/kg
TOXIC EFFECTS :
Cardiac - other changes Vascular - regional or general arteriolar or venous dilation Gastrointestinal - ulceration or bleeding from stomach
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 36,355,1929 ** TUMORIGENIC DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2600 mg/kg/65W-I
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Tumorigenic - tumors at site of application
REFERENCE :
BJCAAI British Journal of Cancer. (Macmillan Press Ltd., Houndmills, Basingstoke, Hants. RG21 2XS, UK) V.1- 1947- Volume(issue)/page/year: 19,392,1965

 Synthetic Route

 Synonyms

2-Penten-4-olide
b-AngelicaLactone
delta1-Angelica lactone
beta-angelica lactone
5-methyl-2(5h)-furanon
5-methylfuran-2(5h)-one
β-ANGELICA LACTONE
4-Methyl-2-buten-4-olide
5-methyl-2,5-dihydrofuran-2-one
(+/-)-5-methyl-2(5H)-furanone
5-Methyl-5H-furan-2-one
2-methyl-2H-furan-5-one
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