2-Hydroxy-5-isopropyl-2,4,6-cycloheptatriene-1-one
Suppliers
Names
[ CAS No. ]:
672-76-4
[ Name ]:
2-Hydroxy-5-isopropyl-2,4,6-cycloheptatriene-1-one
[Synonym ]:
5-Isopropyl-tropolon
5-isopropyl-tropolone
Chemical & Physical Properties
[ Density]:
1.127g/cm3
[ Boiling Point ]:
303.4ºC at 760 mmHg
[ Molecular Formula ]:
C10H12O2
[ Molecular Weight ]:
164.20100
[ Flash Point ]:
128.1ºC
[ Exact Mass ]:
164.08400
[ PSA ]:
37.30000
[ LogP ]:
1.87580
[ Index of Refraction ]:
1.553
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- GU4580000
- CHEMICAL NAME :
- 2,4,6-Cycloheptatrien-1-one, 2-hydroxy-5-(1-methylethyl)-
- CAS REGISTRY NUMBER :
- 672-76-4
- BEILSTEIN REFERENCE NO. :
- 2044323
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C10-H12-O2
- MOLECULAR WEIGHT :
- 164.22
- WISWESSER LINE NOTATION :
- L7VJ BQ EY1&1
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 :
- 162 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 48,722,1959
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Amphibian - frog
- DOSE/DURATION :
- 100 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 48,722,1959
Safety Information
[ HS Code ]:
2914400090
Synthetic Route
Precursor & DownStream
Precursor
DownStream
Customs
[ HS Code ]: 2914400090
[ Summary ]:
2914400090 other ketone-alcohols and ketone-aldehydes。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%