.alpha.-Acetyl-4-hydroxy-.beta.-(hydroxymethyl)-3-methoxy-cinnamic acid .gamma.-lactone

Modify Date: 2025-09-18 21:56:11

.alpha.-Acetyl-4-hydroxy-.beta.-(hydroxymethyl)-3-methoxy-cinnamic acid .gamma.-lactone Structure
.alpha.-Acetyl-4-hydroxy-.beta.-(hydroxymethyl)-3-methoxy-cinnamic acid .gamma.-lactone structure
Common Name .alpha.-Acetyl-4-hydroxy-.beta.-(hydroxymethyl)-3-methoxy-cinnamic acid .gamma.-lactone
CAS Number 73839-65-3 Molecular Weight 248.23100
Density 1.353g/cm3 Boiling Point 521.9ºC at 760 mmHg
Molecular Formula C13H12O5 Melting Point N/A
MSDS N/A Flash Point 205.7ºC

 Names

Name 4-acetyl-3-(4-hydroxy-3-methoxyphenyl)-2H-furan-5-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.353g/cm3
Boiling Point 521.9ºC at 760 mmHg
Molecular Formula C13H12O5
Molecular Weight 248.23100
Flash Point 205.7ºC
Exact Mass 248.06800
PSA 72.83000
LogP 1.30020
Index of Refraction 1.591
InChIKey ULTWKORORDEMCL-UHFFFAOYSA-N
SMILES COc1cc(C2=C(C(C)=O)C(=O)OC2)ccc1O

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
LU3460000
CHEMICAL NAME :
2(5H)-Furanone, 3-acetyl-4-(4-hydroxy-3-methoxyphenyl)-
CAS REGISTRY NUMBER :
73839-65-3
BEILSTEIN REFERENCE NO. :
1249727
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C13-H12-O5
MOLECULAR WEIGHT :
248.25
WISWESSER LINE NOTATION :
T5OV EHJ CV1 DR DQ CO1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
320 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#03018

 Synonyms

2(5H)-FURANONE,3-ACETYL-4-(4-HYDROXY-3-METHOXYPHENYL)
3-acetyl-4-(4-hydroxy-3-methoxy-phenyl)-5H-furan-2-one
3-Acetyl-2-oxo-4-(4-hydroxy-3-methoxy-phenyl)-2,5-dihydro-furan
3-Acetyl-4-(4-hydroxy-3-methoxyphenyl)-2(5H)-furanone
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