135-98-8
sec-Butylbenzene
CAS: 135-98-8;36383-15-0
Molecular Formula: C10H14
135-98-8 - Names and Identifiers
| Name | sec-Butylbenzene |
| Synonyms | 2-Phenylbutane sec-butyl-benzen sec-Butylbenzene Benzene, sec-butyl- Secondary butylbenzene sec.-Butylbenzene (SBB) Benzene,(1-methylpropyl)- benzene,(1-methylpropyl-) [(1S)-1-methylpropyl]benzene SEC-BUTYLBENZENE, STANDARD FOR GC sec-Butylbenzene, (2-Phenylbutane) |
| CAS | 135-98-8 36383-15-0 |
| EINECS | 205-227-0 |
| InChI | InChI=1/C10H14/c1-3-9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3/t9-/m0/s1 |
135-98-8 - Physico-chemical Properties
| Molecular Formula | C10H14 |
| Molar Mass | 134.22 |
| Density | 0.863 g/mL at 25 °C (lit.) |
| Melting Point | -75.5 °C (lit.) |
| Boling Point | 173-174 °C (lit.) |
| Flash Point | 114°F |
| Water Solubility | 309mg/L(25 ºC) |
| Solubility | 17.6mg/l |
| Vapor Presure | 4 mm Hg ( 37.7 °C) |
| Appearance | Liquid |
| Color | Clear |
| Merck | 14,1550 |
| BRN | 1903902 |
| pKa | >14 (Schwarzenbach et al., 1993) |
| Storage Condition | 2-8°C |
| Explosive Limit | 0.8-6.9%(V) |
| Refractive Index | n20/D 1.489(lit.) |
| Physical and Chemical Properties | Colorless liquid. Melting Point -75 ℃, boiling point 173 ℃,63 ℃(2.0kPa), relative density 0.8621, refractive index 1.4895, flash point 45 ℃. With ether, alcohol, benzene miscible, insoluble in water. |
135-98-8 - Risk and Safety
| Risk Codes | R10 - Flammable R39/23/24/25 - R23/24/25 - Toxic by inhalation, in contact with skin and if swallowed. R11 - Highly Flammable R51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. R38 - Irritating to the skin |
| Safety Description | S23 - Do not breathe vapour. S24/25 - Avoid contact with skin and eyes. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S36/37 - Wear suitable protective clothing and gloves. S16 - Keep away from sources of ignition. S7 - Keep container tightly closed. S61 - Avoid release to the environment. Refer to special instructions / safety data sheets. |
| UN IDs | UN 2709 3/PG 3 |
| WGK Germany | 3 |
| RTECS | CY9100000 |
| TSCA | Yes |
| HS Code | 2902 90 00 |
| Hazard Class | 3 |
| Packing Group | III |
| Toxicity | LD50 orally in Rabbit: 1926 mg/kg LD50 dermal Rabbit > 13760 mg/kg |
135-98-8 - Reference Information
| Henry's Law Constant | (x 10-2 atm?m3/mol):1.14 at 25 °C (Hine and Mookerjee, 1975) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Use | for organic synthesis; Solvent. |
| production method | from the reaction of benzene and SEC-butyl chloride. The anhydrous benzene and anhydrous aluminum chloride were stirred and cooled, and SEC-Butyl Chloride was added dropwise at 0-5 ° C. After addition, the reaction was continued with stirring for 1H. Cold water was added with stirring and the reaction mixture was subjected to steam distillation. The distillate was separated into water, dried and then fractionated, and the 171-173 ° C. Fraction was collected to obtain a finished product with a yield of 77%. |
| category | combustible articles |
| toxicity grade | poisoning |
| Acute toxicity | oral-rat LD50: 2240 μl/kg |
| stimulation data | Skin-rabbits 100 mg/24 h moderate; eye-rabbit 500 mg/24 h mild |
| explosive hazard characteristics | explosive when mixed with air |
| flammability hazard characteristics | flammable in open flame, high temperature, strong oxidant; combustion emissions |
| storage and transportation characteristics | The package is complete, light and light unloading; The warehouse is ventilated, away from open flame, high temperature, separate from oxidant |
| fire extinguishing agent | foam, dry powder, carbon dioxide |
| spontaneous combustion temperature | 784 ° F. |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 21:04:16
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