Name | n-Butylbenzene |
Synonyms | BUTYLBENZENE 1-PHENYLBUTANE 1-butylbenzene n-Butylbenzene N-BUTYLBENZENE Normal Butyl Benzene n-Butylbenzene Standard 1-Phenylbutane Butylbenzene Benzene |
CAS | 104-51-8 |
EINECS | 203-209-7 |
InChI | InChI=1/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3 |
Molecular Formula | C10H14 |
Molar Mass | 134.22 |
Density | 0.86 |
Melting Point | -88℃ |
Boling Point | 183℃ |
Flash Point | 59℃ |
Water Solubility | INSOLUBLE |
Vapor Presure | 1.03 mm Hg ( 23 °C) |
Refractive Index | 1.488 |
Physical and Chemical Properties | Chemical colorless liquid. Melting point -88.5 ℃, boiling point 183.1 ℃,116.2 ℃(13.3kPa),62.2 ℃(133Pa), relative density 0.8601(20/4 ℃), refractive index 1.4898, flash point 59 ℃. It is miscible with ethanol, ether, acetone, benzene, carbon tetrachloride, petroleum ether, and insoluble in water. |
Use | Mainly used as solvents and raw materials for organic synthesis |
Risk Codes | R10 - Flammable |
Safety Description | S16 - Keep away from sources of ignition. |
UN IDs | UN 2709 |
melting point | -88 °C |
boiling point | 183 °C(lit.) |
density | 0.86 g/mL at 25 °C(lit.) |
vapor density | >1 (vs air) |
Vapor pressure | 1.03mm Hg ( 23 °C) |
refractive index | n20/D 1.489(lit.) |
flash point | 139 °F |
storage conditions | 2-8°C |
solubility | 11.8mg/l |
acidity coefficient (pKa) | >14 (Schwarzenbach et al., 1993) |
morphology | Liquid |
color | Clear colorless |
explosion limit value (explosive limit) | 0.8-5.8%(V) |
olfactory threshold (Odor Threshold) | 0.0085ppm |
water solubility | INSOLUBLE |
Merck | 14,1549 |
BRN | 1903395 |
Henry's Law Constant | 12.7 at 45.00 °C, 14.1 at 50.00 °C, 15.7 at 55.00 °C, 17.3 at 60.00 °C, 18.9 at 65.00 °C, 22.2 at 70.00 °C, 26.1 at 80.00°C (static headspace-GC, Park et al., 2004) |
stability | Stable. Flammable. Incompatible with strong oxidizing agents. |
InChIKey | OCKPCBLVNKHBMX-UHFFFAOYSA-N |
NIST chemical information | Benzene, butyl-(104-51-8) |
EPA chemical information | n-Butylbenzene (104-51-8) |
dangerous goods mark | F,T,N |
hazard category code | 10-39/23/24/25-23/24/25-11-50/53 |
safety instructions | 16-45-36/37-7-61-60 |
dangerous goods transport number | UN 2709 3/PG 3 |
WGK Germany | 3 |
RTECS number | CY9070000 |
auto-ignition temperature | 774 °F |
TSCA | Yes |
customs code | 2902 90 00 |
HazardClass | 3 |
PackingGroup | III |
toxic substance data | 104-51-8(Hazardous Substances Data) |
production method | It is prepared by hydrogenation of phenylbutanone or by the reaction of bromobenzene and 1-bromobutane. |
category | flammable liquid |
toxicity classification | low toxicity |
acute toxicity | oral-rat LDL0: 8750 mg/kg |
explosive hazard characteristics | Blowing with air |
flammability hazard characteristics | Combustible in case of open flame, high temperature and strong oxidant; combustion emission stimulates smoke |
storage and transportation characteristics | The package is complete, light and light to unload; the warehouse is ventilated, away from open flames, high temperature, and stored separately from the oxidant |
fire extinguishing agent | foam, dry powder, carbon dioxide |