Butylbenzene

Butylbenzene Basic information
Product Name:Butylbenzene
Synonyms:N-BUTYLBENZENE;BUTYLBENZENE;1-Phenylbutane:Butylbenzene;1-PHENYLBUTANE;1-butylbenzene;1-Phenylbutane Butylbenzene Benzene;n-Butylbenzene Standard;Normal Butyl Benzene
CAS:104-51-8
MF:C10H14
MW:134.22
EINECS:203-209-7
Product Categories:Arenes;B;Bioactive Small Molecules;Building Blocks;Cell Biology;Chemical Synthesis;Analytical Chemistry;Standard Solution of Volatile Organic Compounds for Water & Soil Analysis;Standard Solutions (VOC);Organic Building Blocks;K00001
Mol File:104-51-8.mol
Butylbenzene Structure
Butylbenzene Chemical Properties
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. 2-8°C
solubility 11.8mg/l
pka>14 (Schwarzenbach et al., 1993)
form Liquid
color Clear colorless
explosive limit0.8-5.8%(V)
Odor Threshold0.0085ppm
Water Solubility INSOLUBLE
Merck 14,1549
BRN 1903395
Henry's Law Constant12.7 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.
InChIKeyOCKPCBLVNKHBMX-UHFFFAOYSA-N
CAS DataBase Reference104-51-8(CAS DataBase Reference)
NIST Chemistry ReferenceBenzene, butyl-(104-51-8)
EPA Substance Registry Systemn-Butylbenzene (104-51-8)
Safety Information
Hazard Codes F,T,N
Risk Statements 10-39/23/24/25-23/24/25-11-50/53
Safety Statements 16-45-36/37-7-61-60
RIDADR UN 2709 3/PG 3
WGK Germany 3
RTECS CY9070000
Autoignition Temperature774 °F
TSCA Yes
HS Code 2902 90 00
HazardClass 3
PackingGroup III
Hazardous Substances Data104-51-8(Hazardous Substances Data)
Toxicityrat,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.
MSDS Information
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SigmaAldrich English
ALFA English
Butylbenzene Usage And Synthesis
Chemical Propertiescolourless liquid
Physical propertiesClear, 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.
Usesn-Butylbenzene is an organic solvent that has been used to induce cell death in vitro and for bioconversion.
UsesButylbenzene 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.
UsesButylbenzene is used in the preparation of butyl-silica hybrid monolithic column.
DefinitionChEBI: 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
General DescriptionA colorless liquid. Less dense than water and insoluble in water. Flash point between 75 - 140°F. Used to make plastics and as a solvent.
Air & Water ReactionsHighly flammable. Insoluble in water.
Reactivity ProfileVigorous 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.
HazardToxic by ingestion.
Health HazardInhalation 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.
Safety ProfileMildly 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.
SourceNo 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 MethodsDistil 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.]
Butyl glycidyl ether n-Butyllithium 4-tert-Butylbenzaldehyde 3-tert-Butylphenol 4-tert-Butylphenol Butoxybenzene tert-Butyl methyl ether Tetrabutylammonium bromide Butylbenzene Ibuprofen Methyl 4-tert-butylbenzoate 3-N-BUTYLPHTHALIDE 2,4-Di-tert-butylphenol 2-tert-Butylphenol TERT-BUTYLBENZENE GC STANDARD,tert-Butylbenzene,97%,tert-Butylbenzene,99% butyl rubber Bufexamac 2,6-Di-tert-butylphenol

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