17397-85-2

17397-85-2 structure
17397-85-2 structure
  • Name: 8-hydroxy-3-methyl-isochroman-1-one
  • Chemical Name: mellein
  • CAS Number: 17397-85-2
  • Molecular Formula: C10H10O3
  • Molecular Weight: 178.18500
  • Create Date: 2017-10-08 20:21:54
  • Modify Date: 2024-04-02 11:56:49

Name mellein
Synonyms (3R)-hydroxybutyl (3R)-hydroxybutyrate
3-hydroxybutyl-(R)-3-hydroxybutyrate
3,4-dihydro-8-hydroxy-3-methyl-1H-2-benzopyran-1-one
Ketone Ester
(3R)-mellein
8-Hydroxy-3-methyl-3,4-dihydro-1H-isochromen-1-one
(R)-3,4-dihydro-8-hydroxy-3-methylisochromen-1-one
Molecular Formula C10H10O3
Molecular Weight 178.18500
Exact Mass 178.06300
PSA 46.53000
LogP 1.49360

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NQ7860000
CHEMICAL NAME :
Isocoumarin, 3,4-dihydro-8-hydroxy-3-methyl-
CAS REGISTRY NUMBER :
17397-85-2
LAST UPDATED :
198909
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C10-H10-O3
MOLECULAR WEIGHT :
178.20

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 :
125 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85GDA2 "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980- Volume(issue)/page/year: 5,451,1981