| Identification | More | [Name]
Butylbenzene | [CAS]
104-51-8 | [Synonyms]
1-PHENYLBUTANE
BUTYLBENZENE
N-BUTYLBENZENE
1-butylbenzene
Benzene,butyl-
butyl-benzen
butylbenzenes
BUTYLBENZENE, 99+%
BUTYLBENZENE, STANDARD FOR GC
N-BUTYLBENZENE, 1X1ML, MEOH, 5000UG/ML
N-BUTYLBENZENE NEAT STANDARD FOR EPA &
N-BUTYLBENZENE, 1 GRAM, NEAT
n-Butylbenzene, 99+%
1-phenylbutan
n-butylbenzene solution
Butylbenzene (1mg/ml in Methanol) [for Water Analysis]
Butylbenzene, n-: (1-Phenylbutane)
1-Phenylbutane, Butylbenzene solution
4-Butylbenzene | [EINECS(EC#)]
203-209-7 | [Molecular Formula]
C10H14 | [MDL Number]
MFCD00009463 | [Molecular Weight]
134.22 | [MOL File]
104-51-8.mol |
| Chemical Properties | Back Directory | [Appearance]
colourless liquid | [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 ]
1.03 mm Hg ( 23 °C)
| [refractive index ]
n20/D 1.489(lit.)
| [Fp ]
139 °F
| [storage temp. ]
0-6°C | [solubility ]
11.8mg/l | [form ]
Liquid | [pka]
>14 (Schwarzenbach et al., 1993) | [color ]
Clear colorless | [Stability:]
Stable. Flammable. Incompatible with strong oxidizing agents. | [explosive limit]
0.8-5.8%(V) | [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) | [Dielectric constant]
2.4（20℃） | [InChIKey]
OCKPCBLVNKHBMX-UHFFFAOYSA-N | [CAS DataBase Reference]
104-51-8(CAS DataBase Reference) | [NIST Chemistry Reference]
Benzene, butyl-(104-51-8) | [EPA Substance Registry System]
n-Butylbenzene (104-51-8) |
| Safety Data | Back Directory | [Hazard Codes ]
F,T | [Risk Statements ]
R10:Flammable.
R39/23/24/25:Toxic: danger of very serious irreversible effects through inhalation, in contact with skin and if swallowed .
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
R11:Highly Flammable. | [Safety Statements ]
S16:Keep away from sources of ignition-No smoking .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37:Wear suitable protective clothing and gloves .
S7:Keep container tightly closed . | [RIDADR ]
UN 2709 3/PG 3
| [WGK Germany ]
3
| [RTECS ]
CY9070000
| [Autoignition Temperature]
774 °F | [TSCA ]
Yes | [HazardClass ]
3 | [PackingGroup ]
III | [HS Code ]
29029090 | [Safety Profile]
Mildly toxic by
ingestion. Flammable when exposed to heat
or flame. To fight fire, use alcohol foam,
CO2, dry chemical. Incompatible with
oxidizing materials. When heated to
decomposition it emits acrid and irritating
fumes. | [Hazardous Substances Data]
104-51-8(Hazardous Substances Data) | [Toxicity]
rat,LDLo,oral,10mL/kg (10mL/kg),LUNGS, THORAX, OR RESPIRATION: "FIBROSIS, FOCAL (PNEUMOCONIOSIS)"BLOOD: HEMORRHAGELUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA,AMA Archives of Industrial Health. Vol. 19, Pg. 403, 1959. |
| Hazard Information | Back Directory | [General Description]
A colorless liquid. Less dense than water and insoluble in water. Flash point between 75-140°F. Used to make plastics and as a solvent. | [Reactivity Profile]
Vigorous reactions, sometimes amounting to explosions, can result from the contact between aromatic hydrocarbons, such as BUTYL BENZENE, and strong oxidizing agents. They can react exothermically with bases and with diazo compounds. Substitution at the benzene nucleus occurs by halogenation (acid catalyst), nitration, sulfonation, and the Friedel-Crafts reaction. | [Air & Water Reactions]
Highly flammable. Insoluble in water. | [Hazard]
Toxic by ingestion.
| [Health Hazard]
Inhalation or contact with material may irritate or burn skin and eyes. Fire may produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution. | [Chemical Properties]
colourless liquid | [Physical properties]
Clear, colorless, liquid with a faint petroleum or gasoline-like odor similar to that of npropylbenzene.
Nagata and Takeuchi (1990) reported an odor threshold concentration 8.5 ppbv. | [Uses]
Butylbenzene undergoes oxidation to afford butyrophenone. It is used to prepare N-arylazoles via oxidant-free and selective C(sp2)-H amination reaction. It can be used in the synthesis of alkylated pentacene and ladder-type oligo(p-phenylene)s to improve solubility in common organic solvents. | [Uses]
Butylbenzene is used in the preparation of butyl-silica hybrid monolithic column. | [Uses]
n-Butylbenzene is an organic solvent that has been used to induce cell death in vitro and for bioconversion. | [Definition]
ChEBI: An alkylbenzene that is benzene substituted by a butyl group at position 1. | [Synthesis Reference(s)]
The Journal of Organic Chemistry, 50, p. 1749, 1985 DOI: 10.1021/jo00210a035
Tetrahedron Letters, 21, p. 87, 1980 DOI: 10.1016/S0040-4039(00)93631-1 | [Source]
No MCLGs or MCLs have been proposed (U.S. EPA, 1996).
Evaporation and/or dissolution of gasoline, naphtha, coal tar, and asphalt.
Identified as one of 140 volatile constituents in used soybean oils collected from a processing
plant that fried various beef, chicken, and veal products (Takeoka et al., 1996). | [Purification Methods]
Distil butylbenzene from sodium. Wash it with small portions of conc H2SO4 until the acid is no longer coloured, then with water and aqueous Na2CO3. Dry it ( MgSO4), and distil it twice from Na, collecting the middle fraction [Vogel J Chem Soc 607 1948]. [Beilstein 5 IV 1033.] |
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