3-anilino-5,5-dimethyl-2-cyclohexen-1-one
Names
[ CAS No. ]:
18940-21-1
[ Name ]:
3-anilino-5,5-dimethyl-2-cyclohexen-1-one
[Synonym ]:
5,5-dimethyl-3-phenylamino-cyclohex-2-enone
5,5-dimethyl-3-phenylaminocyclohex-2-en-1-one
Chemical & Physical Properties
[ Density]:
1.089g/cm3
[ Boiling Point ]:
331.6ºC at 760 mmHg
[ Molecular Formula ]:
C14H17NO
[ Molecular Weight ]:
215.29100
[ Flash Point ]:
123.9ºC
[ Exact Mass ]:
215.13100
[ PSA ]:
29.10000
[ LogP ]:
3.44450
[ Vapour Pressure ]:
0.000154mmHg at 25°C
[ Index of Refraction ]:
1.582
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- GW7190800
- CHEMICAL NAME :
- 2-Cyclohexen-1-one, 5,5-dimethyl-3-(phenylamino)-
- CAS REGISTRY NUMBER :
- 18940-21-1
- BEILSTEIN REFERENCE NO. :
- 2097764
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C14-H17-N-O
- MOLECULAR WEIGHT :
- 215.32
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD - Lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- >500 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 36,1947,1993
- TYPE OF TEST :
- LD - Lethal dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- >100 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 36,1947,1993
Safety Information
[ HS Code ]:
2922399090
Synthetic Route
Customs
[ HS Code ]: 2922399090
[ Summary ]:
2922399090 other amino-aldehydes, amino-ketones and amino-quinones, other than those containing more than one kind of oxygen function; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%