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N-PROPYLBENZENE

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CAS:103-65-1
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N-PROPYLBENZENE Basic information
Description Reference
Product Name:N-PROPYLBENZENE
Synonyms:propylbenzene solution;n-Popyl benzene;Propylbenzene (1mg/ml in Methanol) [for Water Analysis];N-PROPYLBENZENE / ISOCUMENE;Propylbenzene, N- (Isocumene);Propylbenzene,98%;Propylbenzene,1-Phenylpropane;n-Propylbenzene 5g [103-65-1]
CAS:103-65-1
MF:C9H12
MW:120.19
EINECS:203-132-9
Product Categories:Analytical Chemistry;Standard Solution of Volatile Organic Compounds for Water & Soil Analysis;Standard Solutions (VOC)
Mol File:103-65-1.mol
N-PROPYLBENZENE Structure
N-PROPYLBENZENE Chemical Properties
Melting point -99 °C (lit.)
Boiling point 159 °C (lit.)
density 0.862 g/mL at 25 °C (lit.)
vapor density 4.14 (vs air)
vapor pressure 2 mm Hg ( 20 °C)
refractive index n20/D 1.491(lit.)
Fp 118 °F
storage temp. 2-8°C
solubility 0.06g/l
form Liquid
pka>14 (Schwarzenbach et al., 1993)
color Clear slightly yellow
explosive limit0.8-6%(V)
Odor Threshold0.0038ppm
Water Solubility Miscible with alcohol, ether, acetone, benzene, and petroleum ether. Slightly miscible with water.
Merck 14,7844
BRN 1903006
Henry's Law Constant4.35, 6.21, 8.37, 11.6, and 15.3 at 10, 15, 20, 25, and 30 °C, respectively (headspace-GC, Perlinger et al., 1993)
Dielectric constant2.4(20℃)
Stability:Stable. Flammable. Incompatible with strong oxidizing agents.
InChIKeyODLMAHJVESYWTB-UHFFFAOYSA-N
LogP3.690
CAS DataBase Reference103-65-1(CAS DataBase Reference)
NIST Chemistry ReferenceBenzene, propyl-(103-65-1)
EPA Substance Registry Systemn-Propylbenzene (103-65-1)
Safety Information
Hazard Codes Xi,N,Xn,T,F
Risk Statements 10-37-51/53-65-39/23/24/25-23/24/25-11
Safety Statements 24-37-61-62-45-36/37-16
RIDADR UN 2364 3/PG 3
WGK Germany 2
RTECS DA8750000
Autoignition Temperature842 °F
TSCA Yes
HazardClass 3
PackingGroup III
HS Code 29029090
Hazardous Substances Data103-65-1(Hazardous Substances Data)
ToxicityLD50 orally in rats: 6040 mg/kg (Jenner)
MSDS Information
ProviderLanguage
ACROS English
SigmaAldrich English
ALFA English
N-PROPYLBENZENE Usage And Synthesis
Descriptionn-Propylbenzene (phenylpropane) is an aromatic hydrocarbon. It is in the form of a colorless liquid. n-Propylbenzene is found in petroleum and bituminous coal. It can used to produce cumene and methylstyrene. It is used as an organic solvent in textile dyeing and printing.
ReferencePhilip H. Howard, Handbook of Environmental Fate and Exposure Data For Organic Chemicals, Volume 5; 1997, ISBN 0-87371-976-X
Chemical Propertiescolourless or light yellow liquid
Physical propertiesClear, colorless, mobile liquid with an odor similar to ethylbenzene or toluene. An odor threshold concentration of 3.8 ppbv was determined by a triangular odor bag method (Nagata and Takeuchi, 1990). Cometto-Mu?iz and Cain (1994) reported an average nasal pungency threshold concentration of 1,487 ppmv.
UsesIn textile dyeing and printing; as solvent for cellulose acetate.
Usesn-Propylbenzene is used to prepare benzoic acid. It is employed as a solvent for gas chromatography. It is also used as a solvent and an intermediate in organic synthesis. Further, it is used in fuels and fuel additives.
DefinitionChEBI: An alkylbenzene that is benzene having one of its aromatic hydrogens substituted by a propyl group.
Synthesis Reference(s)Journal of the American Chemical Society, 75, p. 3323, 1953 DOI: 10.1021/ja01110a009
The Journal of Organic Chemistry, 60, p. 2430, 1995 DOI: 10.1021/jo00113a024
Tetrahedron Letters, 28, p. 3817, 1987 DOI: 10.1016/S0040-4039(00)96393-7
General DescriptionA clear colorless liquid. Insoluble in water and less dense than water. Flash point 86°F. Mildly toxic by ingestion and inhalation. Used to make other chemicals.
Air & Water ReactionsHighly flammable. Insoluble in water.
Reactivity ProfileVigorous reactions, sometimes amounting to explosions, can result from the contact between aromatic hydrocarbons, such as PROPYL 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.
HazardFlammable, moderate fire risk.
Health HazardMay be harmful by inhalation, ingestion, or skin absorption. May cause eye and skin irritation.
Fire HazardSpecial Hazards of Combustion Products: Vapor may travel considerable distance to a source of ignition and flashback.
SourceThomas and Delfino (1991) equilibrated contaminant-free groundwater collected from Gainesville, FL with individual fractions of three individual petroleum products at 24–25 °C for 24 h. The aqueous phase was analyzed for organic compounds via U.S. EPA approved test method 602. Average propylbenzene concentrations reported in water-soluble fractions of unleaded gasoline, kerosene, and diesel fuel were 246, 82, and 23 μg/L, respectively. When the authors analyzed the aqueous-phase via U.S. EPA approved test method 610, average propylbenzene concentrations in water-soluble fractions of unleaded gasoline, kerosene, and diesel fuel were generally lower, i.e., 210, 57, and 25 μg/L, respectively.
Schauer et al. (1999) reported propylbenzene in a diesel-powered medium-duty truck exhaust at an emission rate of 100 μg/km.
California Phase II reformulated gasoline contained propylbenzene at a concentration of 3.5 g/kg. Gas-phase tailpipe emission rates from gasoline-powered automobiles with and without catalytic converters were 0.83 and 97.9 mg/km, respectively (Schauer et al., 2002).
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).
Drinking water standard: No MCLGs or MCLs have been proposed (U.S. EPA, 1996).
Environmental fateBiological. A Nocardia sp., growing on n-octadecane, biodegraded propylbenzene to phenylacetic acid (Davis and Raymond, 1981). Propylbenzene was cometabolized by a strain of Micrococcus cerificans to cinnamic acid (Pitter and Chudoba, 1990).
Estimated half-lives of propylbenzene (0.8 μg/L) from an experimental marine mesocosm during the spring (8–16 °C), summer (20–22 °C), and winter (3–7 °C) were 19, 1.3, and 11 d, respectively (Wakeham et al., 1983).
Photolytic. A rate constant of 3.7 x 10-9 L/molecule?sec was reported for the reaction of propylbenzene with OH radicals in the gas phase (Darnall et al., 1976). Similarly, a room temperature rate constant of 5.7 x 10-12 cm3/molecule?sec was reported for the vapor-phase reaction of propylbenzene with OH radicals (Atkinson, 1985). At 25 °C, a rate constant of 6.58 x 10-12 cm3/molecule?sec was reported for the same reaction (Ohta and Ohyama, 1985).
Chemical/Physical. Propylbenzene will not hydrolyze because it does not contain a hydrolyzable functional group (Kollig, 1993).
Tag:N-PROPYLBENZENE(103-65-1) Related Product Information
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