2-Hydroxy-5-isopropyl-2,4,6-cycloheptatriene-1-one

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

Click to get detail 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%

Related Compounds

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