8-hydroxy-3-methyl-isochroman-1-one
Names
[ CAS No. ]:
17397-85-2
[ Name ]:
8-hydroxy-3-methyl-isochroman-1-one
[Synonym ]:
(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
Chemical & Physical Properties
[ Molecular Formula ]:
C10H10O3
[ Molecular Weight ]:
178.18500
[ Exact Mass ]:
178.06300
[ PSA ]:
46.53000
[ LogP ]:
1.49360
Toxicological Information
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