4-(3,4-Dimethoxyphenyl)-4,5,5-trimethyl-1,3-dioxolan-2-one

Modify Date: 2025-09-03 09:38:22

4-(3,4-Dimethoxyphenyl)-4,5,5-trimethyl-1,3-dioxolan-2-one Structure
4-(3,4-Dimethoxyphenyl)-4,5,5-trimethyl-1,3-dioxolan-2-one structure
Common Name 4-(3,4-Dimethoxyphenyl)-4,5,5-trimethyl-1,3-dioxolan-2-one
CAS Number 78110-33-5 Molecular Weight 266.29000
Density 1.126g/cm3 Boiling Point 402.7ºC at 760 mmHg
Molecular Formula C14H18O5 Melting Point N/A
MSDS N/A Flash Point 178.8ºC

 Names

Name 4-(3,4-Dimethoxyphenyl)-4,5,5-trimethyl-1,3-dioxolan-2-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.126g/cm3
Boiling Point 402.7ºC at 760 mmHg
Molecular Formula C14H18O5
Molecular Weight 266.29000
Flash Point 178.8ºC
Exact Mass 266.11500
PSA 53.99000
LogP 2.86440
Index of Refraction 1.494
InChIKey DCLCSXCCFKDIDD-UHFFFAOYSA-N
SMILES COc1ccc(C2(C)OC(=O)OC2(C)C)cc1OC

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
JI4550000
CHEMICAL NAME :
1,3-Dioxolan-2-one, 4-(3,4-dimethoxyphenyl)-4,5,5-trimethyl-
CAS REGISTRY NUMBER :
78110-33-5
BEILSTEIN REFERENCE NO. :
1317550
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C14-H18-O5
MOLECULAR WEIGHT :
266.32
WISWESSER LINE NOTATION :
T5O COTJ B2 BR DG& D1Q

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 :
650 mg/kg
TOXIC EFFECTS :
Behavioral - altered sleep time (including change in righting reflex)
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 7,178,1964

 Synonyms

1,3-DIOXOLAN-2-ONE,4-(3,4-DIMETHOXYPHENYL)-4,5,5-TRIMETHYL
2-(3,4-Dimethoxyphenyl)-3-methylbutane-2,3-diol cyclic carbonate
2-<3,4-Dimethoxy-phenyl>-3-methyl-butan-2,3-dioyl-cycl. carbonat
4-(3,4-dimethoxy-phenyl)-4,5,5-trimethyl-[1,3]dioxolan-2-one
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