Isobutylbenzene
Names
[ CAS No. ]:
538-93-2
[ Name ]:
Isobutylbenzene
[Synonym ]:
2-Methyl-1-phenylpropane
1Y1&1R
EINECS 208-706-2
lithium propan-2-ide
Isopropyllithium
Lithium Propane
iso-butyl benzene
Isobutylbenzene
i-propylmethylbenzene
Isopropyllithium solution
MFCD00008936
Benzene, (2-methylpropyl)-
benzene, isobutyl-
(2-Methylpropyl)benzene
isobutyl-benzene
4-isopropylmethylbenzene
i-propyllithium
4-isobutyl-benzene
ISO-BUTYLBENZENE
propen-2-yl lithium
Chemical & Physical Properties
[ Density]:
0.9±0.1 g/cm3
[ Boiling Point ]:
175.4±7.0 °C at 760 mmHg
[ Melting Point ]:
−51 °C(lit.)
[ Molecular Formula ]:
C10H14
[ Molecular Weight ]:
134.218
[ Flash Point ]:
49.9±8.5 °C
[ Exact Mass ]:
134.109543
[ LogP ]:
4.09
[ Vapour Pressure ]:
1.5±0.2 mmHg at 25°C
[ Index of Refraction ]:
1.490
[ Water Solubility ]:
INSOLUBLE
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- DA3550000
- CHEMICAL NAME :
- Benzene, isobutyl-
- CAS REGISTRY NUMBER :
- 538-93-2
- BEILSTEIN REFERENCE NO. :
- 1852218
- LAST UPDATED :
- 199710
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C10-H14
- MOLECULAR WEIGHT :
- 134.24
- WISWESSER LINE NOTATION :
- 1Y1&1R
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 5 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- 28ZRAQ "Toxicology and Biochemistry of Aromatic Hydrocarbons," Gerarde, H., New York, Elsevier, 1960 Volume(issue)/page/year: -,56,1960
Safety Information
[ Symbol ]:
GHS02, GHS07
[ Signal Word ]:
Warning
[ Hazard Statements ]:
H226-H315-H319-H335
[ Precautionary Statements ]:
P261-P305 + P351 + P338
[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
[ Hazard Codes ]:
Xi:Irritant;
[ Risk Phrases ]:
R10;R36/37/38
[ Safety Phrases ]:
S26-S36-S61-S60
[ RIDADR ]:
UN 3295 3/PG 3
[ WGK Germany ]:
3
[ RTECS ]:
DA3550000
[ Packaging Group ]:
III
[ Hazard Class ]:
3
[ HS Code ]:
2902909090
Precursor & DownStream
Precursor
DownStream
Customs
[ HS Code ]: 2902909090
[ Summary ]:
2902909090 other aromatic hydrocarbons。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:2.0%。General tariff:30.0%
Articles
J. Chromatogr. A. 1392 , 82-90, (2015)
Low thermal mass gas chromatography (LTM-GC) was evaluated for rapid, high peak capacity separations with three injection methods: liquid, headspace solid phase micro-extraction (HS-SPME), and direct ...
Decoys for docking.J. Med. Chem. 48 , 3714-28, (2005)
Molecular docking is widely used to predict novel lead compounds for drug discovery. Success depends on the quality of the docking scoring function, among other factors. An imperfect scoring function ...