1-(4-Hydroxy-3-methoxyphenyl)-4,4-dimethyl-1-penten-3-one

Modify Date: 2025-10-03 21:43:07

1-(4-Hydroxy-3-methoxyphenyl)-4,4-dimethyl-1-penten-3-one Structure
1-(4-Hydroxy-3-methoxyphenyl)-4,4-dimethyl-1-penten-3-one structure
Common Name 1-(4-Hydroxy-3-methoxyphenyl)-4,4-dimethyl-1-penten-3-one
CAS Number 58344-27-7 Molecular Weight 234.29100
Density 1.084g/cm3 Boiling Point 372.5ºC at 760 mmHg
Molecular Formula C14H18O3 Melting Point N/A
MSDS N/A Flash Point 136.3ºC

 Names

Name 1-(4-Hydroxy-3-methoxyphenyl)-4,4-dimethyl-1-penten-3-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.084g/cm3
Boiling Point 372.5ºC at 760 mmHg
Molecular Formula C14H18O3
Molecular Weight 234.29100
Flash Point 136.3ºC
Exact Mass 234.12600
PSA 46.53000
LogP 3.02920
Index of Refraction 1.553
InChIKey HQCPXGCKNBVMPN-SOFGYWHQSA-N
SMILES COc1cc(C=CC(=O)C(C)(C)C)ccc1O

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SB3926300
CHEMICAL NAME :
1-Penten-3-one, 1-(4-hydroxy-3-methoxyphenyl)-4,4-dimethyl-
CAS REGISTRY NUMBER :
58344-27-7
BEILSTEIN REFERENCE NO. :
3274514
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C14-H18-O3
MOLECULAR WEIGHT :
234.32

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 :
>2 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 13,41,1978

 Precursor & DownStream

Precursor  0

DownStream  1

 Synonyms

(E)-1-(4-hydroxy-3-methoxyphenyl)-4,4-dimethylpent-1-en-3-one
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