cuminyl nitrile
Names
[ CAS No. ]:
13816-33-6
[ Name ]:
cuminyl nitrile
[Synonym ]:
MFCD00052966
4-ISOPROPYLBENZONITRILE
4-propan-2-ylbenzonitrile
EINECS 237-492-3
Chemical & Physical Properties
[ Density]:
0.96 g/cm3
[ Boiling Point ]:
88-90ºC (5 torr)
[ Melting Point ]:
51.5°C (estimate)
[ Molecular Formula ]:
C10H11N
[ Molecular Weight ]:
145.20100
[ Flash Point ]:
93.6ºC
[ Exact Mass ]:
145.08900
[ PSA ]:
23.79000
[ LogP ]:
2.68168
[ Vapour Pressure ]:
0.0623mmHg at 25°C
[ Index of Refraction ]:
1.518
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- DI4650000
- CHEMICAL NAME :
- Benzonitrile, p-isopropyl-
- CAS REGISTRY NUMBER :
- 13816-33-6
- BEILSTEIN REFERENCE NO. :
- 1932883
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C10-H11-N
- MOLECULAR WEIGHT :
- 145.22
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 21,837,1983 ** ACUTE TOXICITY DATA **
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 3900 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 21,837,1983
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- >5 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 21,837,1983
Safety Information
[ Hazard Codes ]:
Xi:Irritant;
[ Risk Phrases ]:
R36/37/38
[ Safety Phrases ]:
S26-S37/39
[ RTECS ]:
DI4650000
[ HS Code ]:
2926909090
Synthetic Route
Precursor & DownStream
Precursor
DownStream
Customs
[ HS Code ]: 2926909090
[ Summary ]:
HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%