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Propylbenzene

HCID 7668
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Basic information

CAS
103-65-1
Standard SMILES
CCCc1ccccc1
InChIKey
ODLMAHJVESYWTB-UHFFFAOYSA-N
Molecular formula
C9H12
Average molar mass
120.19 g/mol
Monoisotopic mass
120.09390038

Overview

N-propyl benzene appears as a 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.

Names & identifiers

Preferred name
Propylbenzene
IUPAC
propylbenzene
English name
n-Propylbenzene
Molecular formula
C9H12
Molecular weight
120.19

Names & synonyms

PropylbenzeneN-PROPYLBENZENE103-65-11-PhenylpropanePhenylpropaneIsocumeneBenzene, propyl-1-PropylbenzeneDTXSID30422190WR86ZHG2ZNSC-16941DTXCID1022219
Show more names
IsocomenePropylbenzolbenzene,propyl-propylbenzene solutionpropyl-benzen
CHEBI:42630benzene, propylRefChem:6174203-132-9n-Propyl benzenePropylbenzene, n-Propyl-benzeneNSC 16941

Database identifiers

CAS
103-65-1
PubChem CID
7668
DTXSID
DTXSID3042219
ChEMBL
CHEMBL286062
ChEBI
CHEBI:42630
UNII
0WR86ZHG2Z
EC Number
203-132-9
Nikkaji
J5.516F

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
2
Heavy atoms
9
Formal charge
0
Complexity
60.4

Experimental & physicochemical properties

Chemical Classes · 2 items

Flammable agents - 3rd degree

Volatile Organic Compound (VOC)

SolventsSolvents -> Aromatic Solvents
SpringerMaterials PropertiesSchoenflies notation
LogP · 2 items

log Kow= 3.69

3.79

Density · 3 items

0.862 (USCG, 1999) - Less dense than water; will float

Specific gravity: 0.8620 @ 20 °C/4 °C

0.8593 @25 °C

Color/Form · 2 items

Colorless liquid

Liquid

Solubility · 3 items

Very slightly sol in water (0.06 g/l); sol in alcohol, ether

Miscible in ethanol, ethyl ether, and acetone

Water solubility of 23.4 mg/l at 25 °C.

Flash Point · 2 items

118 °F (USCG, 1999)

86 °F (closed cup)

Boiling Point · 3 items

318.2 °F at 760 mmHg (USCG, 1999)

159.2 °C

159.24 °C @760 [mm Hg]

DecompositionWhen heated to decomposition it emits acrid smoke and fumes.
Melting Point · 3 items

-146.2 °F (USCG, 1999)

-99.5 °C

-99.6 °C

Vapor Density4.14 (Air= 1)

Physicochemical properties

Melting point
99.5 °C · −99.5 °C (−147.1 °F; 173.7 K)
Boiling point
159.2 °C · 159.2 °C (318.6 °F; 432.3 K)
Density
0.862 g/cm3 · 0.8620 g/cm3
vapor density
4.14 · 4.14 (vs air)
vapor pressure
2 mm · 2 mm Hg ( 20 °C)
refractive index
1.49 · 1.49
Flash point
30 °C · 30 °C
storage temp.
2 · 2-8°C
solubility
0.06 g/l · 0.06g/l
pka
14 · >14 (Schwarzenbach et al., 1993)
form
liquid
color
colorless
Odor
Aromatic odor
explosive limit
0.8 · 0.8-6%(V)
Odor Threshold
0.0038 ppm · 0.0038ppm
Water Solubility
Miscible with alcohol, ether, acetone, benzene, and petroleum ether. Slightly miscible with water.
Thermal Conductivity
0.1223 W/ · 0.1223 W/(m·K) at 25 ℃
Specific Heat Capacity
1.79 J/ · Cp(liquid): 1.79 J/(g·K), at 25℃
Merck
14 · 14,7844
BRN
1903006 · 1903006
Henry's Law Constant
4.35 · 4.35, 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 constant
2.4 · 2.4(20℃)
Stability
Stable. Flammable. Incompatible with strong oxidizing agents.
Major Application
environmental
Cosmetics Ingredients Functions
SOLVENT
InChI
1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3
InChIKey
ODLMAHJVESYWTB-UHFFFAOYSA-N
SMILES
CCCc1ccccc1
LogP
3.69 · 3.690
Surface tension
28.99 mN/m · 28.99mN/m at 20°C
CAS DataBase Reference
103 · 103-65-1(CAS DataBase Reference)
FDA UNII
0 WR86ZHG2Z · 0WR86ZHG2Z
NIST Chemistry Reference
Benzene, propyl-(103-65-1)
EPA Substance Registry System
n-Propylbenzene (103-65-1)
UNSPSC Code
41116107 · 41116107
NACRES
24 · NA.24
Symbol(GHS)
2 · GHS02,GHS07,GHS08,GHS09
Signal word
Danger
Hazard statements
335 · H335-H336-H304-H411-H226
Precautionary statements
501 · P501-P261-P273-P240-P210-P233-P243-P241-P242-P271-P280-P370+P378-P391-P331-P303+P361+P353-P301+P310-P304+P340+P312-P403+P233-P403+P235-P405
target organs
Respiratory system
PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes
Xi,N,Xn,T,F
Risk Statements
10 · 10-37-51/53-65-39/23/24/25-23/24/25-11
Safety Statements
24 · 24-37-61-62-45-36/37-16
RIDADR
2364 · UN 2364
WGK Germany
2 · 2
RTECS
8750000 · DA8750000
Autoignition Temperature
842 °F · 842 °F
TSCA
TSCA listed
HazardClass
3 · 3
PackingGroup
III
HS Code
2902909000 · 2902909000
Storage Class
3 · 3 - Flammable liquids
Hazard Classifications
2 Asp · Aquatic Chronic 2Asp. Tox. 1Flam. Liq. 3STOT SE 3
Hazardous Substances Data
103 · 103-65-1(Hazardous Substances Data)
Toxicity
50 orally · LD50 orally in rats: 6040 mg/kg (Jenner)
Limited Quantities
5 L · 5.0 L (1.3 gallons) (liquid)
Excepted Quantities
Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 6 items

Danger

H226: Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P271, P273, P280, P301+P316, P303+P361+P353, P304+P340, P319, P331, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

This chemical does not meet GHS hazard criteria for < 0.1% (1 of 1188) of reports.

Danger

H226 (> 99.9%): Flammable liquid and vapor [Warning Flammable liquids]

Hazard information

Regulatory Information · 5 items

Chemical: Benzene, propyl-

Hazard Traits - Nephrotoxicity and Other Toxicity to the Urinary System

Benzene, propyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, propyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Propylbenzene: Does not have an individual approval but may be used under an appropriate group standard

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

DOT LabelFlammable Liquid
Fire Hazards · 2 items

Special Hazards of Combustion Products: Vapor may travel considerable distance to a source of ignition and flashback. (USCG, 1999)

· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.

Fire Potential · 2 items

Flammable, moderate fire risk.

A very dangerous fire hazard when exposed to heat, flame, or oxidizers ...

Health Hazards · 2 items

May be harmful by inhalation, ingestion, or skin absorption. May cause eye and skin irritation. (USCG, 1999)

CAUTION: Petroleum crude oil (UN1267) may contain TOXIC hydrogen sulphide gas.

Hazards Summary · 2 items

In animal studies, it acts as a CNS depressant and general anesthetic. [HSDB] If left on clothes, can cause reddening of skin; [CHRIS]

The major hazards encountered in the use and handling of n-propylbenzene stem from its toxicologic properties and flammability. Toxic by all routes (ie, inhalation, ingestion, dermal contact), exposure to this colorless liquid may occur from its use in textile dyeing and printing, as a solvent for cellulose acetate, and in the manufacture of methylstyrene. Effects from exposure may include burns to the skin and eyes, nausea, headache, dizziness, central nervous system depression, and unconsciousness. In activities and situations where over-exposure may occur, wear a positive pressure self-contained breathing apparatus and protective clothing. If contact should occur, immediately irrigate exposed eyes with copious amounts of tepid water for at least 15 minutes, and wash exposed skin thoroughly with soap and water. Contaminated clothing should be removed and left at the site. This substance is flammable and may be ignited by heat, sparks, or flames. Its heavier-than-air vapor may travel to a source of ignition and flash back, or accumulate to explosive concentrations in enclosed spaces, such as sewers. Also, containers of n-propylbenzene may explode in the heat of a fire. For fires involving this substance, extinguish with dry chemical, CO2, water spray, fog, or alcohol-resistant foam. Isolate for 1/2 mile in all directions if tank, rail car or tank truck is involved in the fire. For small spills of n-propylbenzene, take up with sand or other noncombustible absorbent, and place into container for later disposal. Dike far ahead of large spills to contain for later disposal.

DOT ID and Guide2364 128
Reactive GroupHydrocarbons, Aromatic
Reactivity AlertsHighly Flammable
Reactivity Profile · 1 item

Vigorous reactions, sometimes amounting to explosions, can result from the contact between aromatic hydrocarbons, such as N-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.

Flammable LimitsLower flammable limit: 0.8% by volume; Upper flammable limit: 6.0% by volume
DOT Emergency Guidelines · 5 items

/GUIDE 128: FLAMMABLE LIQUIDS (NON-POLAR/WATER-IMMISCIBLE)/ Fire or Explosion: HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water. Substances may be transported hot.

/GUIDE 128: FLAMMABLE LIQUIDS (NON-POLAR/WATER-IMMISCIBLE)/ Health: 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.

/GUIDE 128: FLAMMABLE LIQUIDS (NON-POLAR/WATER-IMMISCIBLE)/ Public Safety: CALL Emergency Response Telephone Number ... . As an immediate precautionary measure, isolate spill or leak area for at least 50 meters (150 feet) in all directions. Keep unauthorized personnel away. Stay upwind. Keep out of low areas. Ventilate closed spaces before entering.

/GUIDE 128: FLAMMABLE LIQUIDS (NON-POLAR/WATER-IMMISCIBLE)/ Protective Clothing: Wear positive pressure self-contained breathing apparatus (SCBA). Structural firefighters' protective clothing will only provide limited protection.

For more DOT Emergency Guidelines (Complete) data for N-PROPYLBENZENE (8 total), please visit the HSDB record page.

Safety & protection

Fire FightingExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Accidental Release Measures · 2 items

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.

First Aid · 2 items

INHALATION: Call for medical aid. Remove the victim to fresh air. If not breathing give artificial respiration. If breathing is difficult, give oxygen.

General First Aid:

Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Fire Fighting Procedures · 2 items

To fight fire, use foam, carbon dioxide, dry chemical.

If material on fire or involved in fire: Do not extinguish fire unless flow can be stopped or safely confined. Use water in flooding quantities as fog. Solid streams of water may be ineffective. Cool all affected containers with flooding quantities of water. Apply water from as far a distance as possible. Use foam, dry chemical, or carbon dioxide. Keep run-off water out of sewers and water sources.

Nonfire Spill ResponseExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Disposal Methods · 2 items

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

The following wastewater treatment technologies have been investigated for n-propyl benzene: concentration process: biological treatment.

Preventive Measures · 2 items

If material not on fire and not involved in fire: Keep sparks, flames, and other sources of ignition away. Keep material out of water sources and sewers. Build dikes to contain flow as necessary. Attempt to stop leak if without undue personnel hazard. Use water spray to knock-down vapors.

Personnel protection: Avoid breathing vapors. Keep upwind. ... Avoid bodily contact with the material. ... Do not handle broken packages unless wearing appropriate personal protective equipment. Wash away any material which may have contacted the body with copious amounts of water or soap and water. ... If contact with the material anticipated, wear appropriate chemical protective clothing.

Isolation and Evacuation · 2 items

Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:

Immediate precautionary measure

Protective Action Criteria (PAC) · 3 items

3.7 [ppm]

41 [ppm]

240 [ppm]

Personal Protective Equipment (PPE)Self-contained breathing apparatus, rubber boots and heavy rubber gloves. (USCG, 1999)
Emergency Response Planning GuidelinesCAUTION: The majority of these products have a very low flash point. Use of water spray when fighting fire may be inefficient.

Toxicology

Body Burdenn-Propylbenzene was qualitatively detected in 8 of 46 samples of human adipose tissue analyzed during the EPA National Human Adipose Tissue Survey in fiscal year 1982(1).
Ecotoxicity Values · 2 items

WEC50 Mytilus edulis (mussels) 0.86 mg/l (0.69-1.07 mg/l) (toxicant concn in water required to reduce feeding rate by 50%).

TEC50 Mytilus edulis (mussels) 27.0 mg/kg (22.7-32.1 mg/kg) (toxicant conc in mussel tissue required to reduce feeding rate by 50%).

Environmental Fate · 3 items

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 955(SRC), determined from molecular connectivity indices(2), and measured values of 495 to 725(3,4) indicates that n-propylbenzene is expected to have low mobility in soil(SRC). Volatilization of n-propylbenzene from moist soil surfaces is expected to be an important fate process(7) given a Henry's Law constant of 1.05X10-2 atm-cu m/mole(5). The potential for volatilization of n-propylbenzene from dry soil surfaces may exist(SRC) based upon a vapor pressure of 3.42 mm Hg(6). Biodegradation from soil may occur based on results from activated sludge studies(8).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 955(SRC), determined from molecular connectivity indices(2), as well as measured Koc values ranging from 495 to 725(3,4), indicate that n-propylbenzene is not expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(5) based upon a Henry's Law constant of 1.05X01-2 atm-cu m/mole(6). Using this Henry's Law constant and an estimation method(5), volatilization half-lives for a model river and model lake are 1 hr and 4 days, respectively(SRC). Volatilization half-lives of 1.3 to 19 days have been predicted for the Narraganset Bay near RI where volatilization is expected to be the major removal process(10). Aquatic hydrolysis is not an important fate process(SRC) due to the lack of hydrolyzable functional groups(5). According to a classification scheme(7), an estimated BCF of 138(SRC), from its log Kow of 3.69(8) and a regression-derived equation(9), suggests the potential for bioconcentration in aquatic organisms is moderate. Biodegradation from water may occur based on activated sludge studies, with theoretical BODs ranging from 21.8 to 43.7%(11,12).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), n-propylbenzene, which has a vapor pressure of 3.42 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase n-propylbenzene is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 2 days(SRC), calculated from its rate constant of 5.0X10-12 cu cm/molecule-sec at 25 °C(3). The detection of n-propylbenzene in rainwater samples(4) suggests that physical removal from the atmosphere by wet deposition is possible(SRC).

Food Survey Valuesn-Propylbenzene has been qualitatively identified as a volatile constituent of chickpea flour(1), roasted filbert nuts(2) and scrambled eggs(3). Level in peanut oil was less than 2% of the total volatiles(4).
Adverse EffectsNeurotoxin - Acute solvent syndrome
Average Daily IntakeAIR: Assuming an avg n-propylbenzene concn of 0.605-0.822 ug/cu m in urban-suburban outdoor air(1) and an inhalation rate of 20 cu m/day, the AVDI is 12.1-16.44 ug/day(SRC).
Effluent Concentrations · 3 items

n-Propylbenzene has been qualitatively detected in various wastewaters from the following industries: petroleum refining, textile mills, auto and other laundries, plastics mfg, and publicly owned treatment works(1). Leachate from 4 hazardous waste landfills in Germany contained n-propylbenzene levels of 10-700 ug/l(3). An n-propylbenzene concn of 69 mg/cu m was detected in gas emissions from a landfill in Great Britain(4). An aqueous effluent from a US petroleum refinery had a n-propylbenzene concn of 13 ng/g(5). n-Propylbenzene is a component of leachate from a landfill in Germany, being detected up to a distance of 56 m(5). Maximum concns of n-propylbenzene in the off-gas at aerated grit chambers in two Ontario, Canada municipal wastewater treatment plants were 205 and 203 ug/l(6).

Based upon dynamometer tests, the avg n-propylbenzene emission rate from gasoline-powered engines is 1.2 mg/km(1). Emission rates for n-propylbenzene from motor vehicles was calculated to be 34 mg/l of fuel consumed based on measurements made inside and outside a Los Angeles roadway tunnel(2). It is also a component of exhaust emissions from four-stroke lawn mower engines: n-propylbenzene comprised 0.57% of total organic emissions from baseline gasoline and 0.55% of total organic emissions in reformulated gasoline(3). Four stroke outboard motors are also a source of n-propylbenzene into surface waters(4).

n-Propylbenzene has also been detected as a possible volatile (C3-benzene) from furniture coatings for wood-based materials(1) and as a volatile emission from building materials (concn): linoleum tile (2.3 ug-sq m/hr); black rubber molding (0.96 ug-sq m/hr); vinyl edge molding (0.34 ug-sq m/hr); large diameter telephone cable (0.65 ug-sq m/hr); small diameter telephone cable (0.79 ug-sq m/hr); polystyrene foam insulation (0.70 ug-sq m/hr); cove adhesive (110 ug-sq m/hr); latex caulk (2.7 ug-sq m/hr); carpet (0.49 ug-sq m/hr)(2).

Soil Adsorption/Mobility · 1 item

A Koc of 725 was measured for n-propylbenzene using a surface sediment collected from the Tamar estuary(1). A similar Koc of 676 was measured in a humic acid column via HPLC(2). Adsorption percentages ranging from 0.16 to 5.58% were measured in soil column studies using three different soil types and a sludge sample(3). Using a structure estimation method based on molecular connectivity indices(4), the Koc for n-propylbenzene can be estimated to be 955(SRC). According to a classification scheme(5), these estimated and measured Koc values suggest that n-propylbenzene is expected to have low mobility in soil.

Natural Pollution Sourcesn-Propylbenzene occurs as a natural constituent in petroleum(1,3) and bituminous coal(2).
Atmospheric Concentrations · 5 items

SOURCE DOMINATED: n-Propylbenzene was detected in tunnel air at 0.037 g/kg (traffic) and 0.052 (congested) from the Craeybeckx highway tunnel in Antwerp Belgium(1).

URBAN/SUBURBAN: An evaluated database of US air monitoring data for the years 1970-1987 contains the following data for n-propylbenzene (concn is reported as daily median conc): suburban sites-213 samples, 0.123 ppb; urban sites-520 samples, 0.167 ppb(1). Air samples collected in Tulsa, OK in Jul 1978 contained n-propylbenzene levels of 0-0.9 ppb(2); samples from Rio Blanco County, CO (Jul 1978) had levels of 0.5-1.6 ppb(2). Ambient air samples collected in Long Beach, Burbank, Azuza, Los Angeles and Inglewood, CA (date no reported) contained n-propylbenzene levels of 0.001-0.011 ppm(3). The avg concn in the ambient air of Sydney, Australia between Sep 1979 and June 1980 (140 samples) was 0.4 ppb(4). The n-propylbenzene concn in Los Angeles, CA air range from 1-3 ppb during Sep-Nov 1981 monitoring(5).

URBAN/SUBURBAN: The avg concns of n-propylbenzene in the air of Vienna, Austria during Oct 1986 to Feb 1987 monitoring were 0.6 ppb (background), 2.2 ppb (suburbs), and 4.8 ppb (streets)(1). An avg n-propylbenzene concn of 2 ppb was monitored in Los Angeles, CA air during the fall of 1966(2). Levels ranging from 0.2-61.1 ppb were detected in the ambient air of Houston, TX during 1973 and 1974 monitoring(3). Air samples from Atlanta, GA contained n-propylbenzene at a concn of <5 ppbC(4).

RURAL/REMOTE: An evaluated database of US air monitoring data for the years 1970-1987 contained the following data for n-propylbenzene (conc is reported as daily median conc): remote sites-2 samples, 0.056 ppb; rural sites-2 samples, 0.056 ppb(1). Samples from the Smokey Mountains (Sept 1978) had levels of 0-0.6 ppb(2).

INDOOR AIR: n-Propylbenzene was detected in 85% of the indoor air of 26 houses in Helsinki, Finland(1). The median concn in a normal house was 0.62 ug/cu m(1). In "sick houses", 10.5% contained n-propylbenzene at 5-10% greater than average; 2.6% houses contained 10-50% greater than average, and 2.6% houses contained 200-1000% greater than average concn of n-propylbenzene(1).

Human Toxicity Excerpts · 2 items

... IRRITATING TO MUCOUS MEMBRANES, EYES, NOSE, THROAT & SKIN. SYSTEMICALLY, IT CAUSES DEPRESSION OF CNS, HEADACHE, ANOREXIA, MUSCULAR WEAKNESS, INCOORDINATION, NAUSEA, VERTIGO, MENTAL CONFUSION, & UNCONSCIOUSNESS.

The action of the alkylbenzenes under conditions of acute exposure resembles those of the general anesthetics. /Alkylbenzenes/

Artificial Pollution Sources · 2 items

Incineration of organic, petroleum or coal wastes, and combustion of fuels will release n-propylbenzene to the atmosphere(1). General uses of asphalt and naphtha and use as a solvent will release n-propylbenzene to the environment(1). n-Propylbenzene is emitted in the exhaust from gasoline and diesel engines(2). Outboard motors and motor boats have been identified as sources of n-propylbenzene emissions to water(3,4). n-Propylbenzene can be released to the environment in leachates and vapor emissions from landfills(5,6).

n-Propylbenzene's production and use as a solvent and use in textile dyeing(1) may result in its release to the environment through various waste streams(SRC).

Regulatory information

State Drinking Water Guidelines · 3 items

(CA) CALIFORNIA 260 ug/l

(FL) FLORIDA 280 ug/l

(NH) NEW HAMPSHIRE 260 ug/L

Safety data

PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk
2
tsca
TSCA listed
rtecs
DA8750000
ridadr
UN 2364
hs_code
2902909000
Toxicity
LD50 orally in rats: 6040 mg/kg (Jenner)
risk_code
10-37-51/53-65-39/23/24/25-23/24/25-11
Signal word
Danger
Symbol(GHS)
GHS02,GHS07,GHS08,GHS09
hazard_code
Xi,N,Xn,T,F
safety_code
24-37-61-62-45-36/37-16
hazard_class
3
Storage Class
3 - Flammable liquids
packing_group
III
target organs
Respiratory system
Hazard statements
H335-H336-H304-H411-H226
Limited Quantities
5.0 L (1.3 gallons) (liquid)
Excepted Quantities
Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Hazard Classifications
Aquatic Chronic 2Asp. Tox. 1Flam. Liq. 3STOT SE 3
Autoignition Temperature
842 °F
Precautionary statements
P501-P261-P273-P240-P210-P233-P243-P241-P242-P271-P280-P370+P378-P391-P331-P303+P361+P353-P301+P310-P304+P340+P312-P403+P233-P403+P235-P405
Hazardous Substances Data
103-65-1(Hazardous Substances Data)

Chemistry & industry

Pharmacology

Metabolism/MetabolitesIN RATS, THERE APPEARS TO BE A DUAL METABOLIC PATHWAY: SIDE-CHAIN OXIDATION & RING HYDROXYLATION, WITH FORMER PREFERRED.
Absorption, Distribution and Excretion... PROBABLY READILY ABSORBED FROM GI TRACT & LUNG & EXCRETED MAINLY IN URINE OF HUMANS.
Cellular LocationsMembrane

Uses & manufacturing

Uses · 3 items

Used as a chemical intermediate and solvent for printing and textile dyeing; a constituent of asphalt and naphtha; [HSDB]

Textiles (Printing, Dyeing, or Finishing) [Category: Industry]

Mfg methylstyrene; textile dyeing; printing solvent for cellulose acetate; asphalt and naphtha constituent.

U.S. Production · 2 items

2023: <25,000 lb

(1977) AT LEAST 4.54X10+10 GRAMS

Consumer UsesSolvent
Industry UsesFuel agents
Methods of Manufacturing · 5 items

Prepd by the action of diethyl sulfate on benzyl magnesium chloride.

... IS PRODUCED IN PETROLEUM REFINING & AS BYPRODUCT OF CUMENE MFR.

PROBABLY BY ALKYLATION OF BENZENE WITH N-PROPYL CHLORIDE IN THE PRESENCE OF ALUMINUM CHLORIDE; FRACTIONAL DISTILLATION OF PETROLEUM REFORMATE.

Reaction of benzylmagnesium chloride and diethyl sulfate.

Petroleum refining; by-product of cumene mfg.

Household ProductsInformation on 13 consumer products that contain Propylbenzene in the following categories is provided:
General Manufacturing Information · 2 items

Petroleum Refineries

Benzene, propyl-: ACTIVE

Applications · 4 items

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.

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.

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.

Upstream & downstream products

Upstream raw materials

(1,1-Diethylpropyl)benzeneIndan(1-Ethylpropyl)benzene

Downstream products

4-Propylbenzoic acidREMIFENTANILPyromellitic DianhydrideEthyl 4-phenylbutyrateC.I. 607521-Phenyl-1-propanol1-Bromo-4-propylbenzene1-bromo-2-propylbenzenePropylcyclohexane

Additional notes

DefinitionChEBI: An alkylbenzene that is benzene having one of its aromatic hydrogens substituted by a propyl group.

Related reactions

22 records
New reaction record
HRID 234791 reaction equation
HRID 234791As solventuspto-grants-1997_01
HRID 370294 reaction equation
HRID 370294As productuspto-grants-2000_10
HRID 375039 reaction equation
HRID 375039As reactantuspto-grants-1996_01
HRID 413550 reaction equation
HRID 413550As productuspto-grants-2003_05
HRID 413552 reaction equation
HRID 413552As reactantuspto-grants-2003_05
HRID 443680 reaction equation
HRID 443680As reactantuspto-grants-1981_04
HRID 680880 reaction equation
HRID 680880As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 800649 reaction equation
HRID 800649As reactantTest data from https://doi.org/10.1039/C8SC04228D
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