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

Modify Date: 2024-01-09 19:05:33

2-Hydroxy-5-isopropyl-2,4,6-cycloheptatriene-1-one Structure
2-Hydroxy-5-isopropyl-2,4,6-cycloheptatriene-1-one structure
Common Name 2-Hydroxy-5-isopropyl-2,4,6-cycloheptatriene-1-one
CAS Number 672-76-4 Molecular Weight 164.20100
Density 1.127g/cm3 Boiling Point 303.4ºC at 760 mmHg
Molecular Formula C10H12O2 Melting Point N/A
MSDS N/A Flash Point 128.1ºC

 Names

Name 2-hydroxy-5-propan-2-ylcyclohepta-2,4,6-trien-1-one
Synonym More Synonyms

 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

 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%

 Synonyms

5-Isopropyl-tropolon
5-isopropyl-tropolone