Isobutylbenzene
- Product NameIsobutylbenzene
- CAS538-93-2
- CBNumberCB0328155
- MFC10H14
- MW134.22
- EINECS208-706-2
- MDL NumberMFCD00008936
- MOL File538-93-2.mol
Chemical Properties
| Melting point: | -51 °C (lit.) |
| Boiling point: | 170 °C/736 mmHg (lit.) |
| Density | 0.853 g/mL at 25 °C (lit.) |
| vapor pressure | 4.2 mm Hg ( 37.7 °C) |
| refractive index | n |
| Flash point: | 131 °F |
| storage temp. | Flammables area |
| solubility | Insoluble in water, soluble in ethanol, ether, benzene and acetone. |
| pka | >14 (Schwarzenbach et al., 1993) |
| form | Liquid |
| color | Colorless to Almost colorless |
| explosive limit | 0.8-6%(V) |
| Water Solubility | 0.01g/l |
| Merck | 14,5134 |
| BRN | 1852218 |
| Henry's Law Constant | (x 10-2 atmm3/mol): 1.09 at 25 °C (Hine and Mookerjee, 1975) |
| Dielectric constant | 2.3(Ambient) |
| InChI | 1S/C10H14/c1-9(2)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3 |
| InChIKey | KXUHSQYYJYAXGZ-UHFFFAOYSA-N |
| SMILES | CC(C)Cc1ccccc1 |
| LogP | 4.8 at 23℃ and pH6 |
| CAS DataBase Reference | 538-93-2(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzene, (2-methylpropyl)-(538-93-2) |
| EPA Substance Registry System | Isobutylbenzene (538-93-2) |
Safety
| Symbol(GHS) |
   GHS02,GHS07,GHS09 |
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| Signal word | Warning | |||||||||
| Hazard statements | H315-H319-H336-H410-H226 | |||||||||
| Precautionary statements | P501-P273-P240-P261-P210-P233-P243-P241-P242-P271-P264-P280-P370+P378-P391-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P304+P340+P312-P403+P233-P403+P235-P405 | |||||||||
| PPE | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter | |||||||||
| Hazard Codes | Xi,N | |||||||||
| Risk Statements | 10-36/37/38-50/53 | |||||||||
| Safety Statements | 26-36-61-60 | |||||||||
| RIDADR | UN 3295 3/PG 3 | |||||||||
| WGK Germany | 3 | |||||||||
| RTECS | DA3550000 | |||||||||
| Autoignition Temperature | 802 °F | |||||||||
| TSCA | TSCA listed | |||||||||
| HazardClass | 3 | |||||||||
| PackingGroup | III | |||||||||
| HS Code | 2902909000 | |||||||||
| Storage Class | 3 - Flammable liquids | |||||||||
| Hazard Classifications |
Aquatic Acute 1 Aquatic Chronic 1 Flam. Liq. 3 |
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| REACH Registrations | Active | |||||||||
| Limited Quantities | 5.0 L (1.3 gallons) (liquid) | |||||||||
| Excepted Quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L) | |||||||||
| NFPA 704: |
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