CAS 103-65-1PubChem CID 7668
Propylbenzene
- IUPAC name
- propylbenzene
- Molecular formula
- C9H12
- Molecular weight
- 120.19 g/mol
- Exact mass
- 120.093900383 Da
- XLogP3
- 3.7
- Topological polar surface area
- 0.0 Ų
- Hydrogen-bond donors
- 0
- Hydrogen-bond acceptors
- 0
- Covalent units
- 1
- Defined stereocentres
- 0
Also known as
N-PROPYLBENZENE1-PhenylpropanePhenylpropaneIsocumeneBenzene, propyl-1-Propylbenzene0WR86ZHG2ZNSC-16941
16 more reported names
CHEBI:42630benzene, propylRefChem:6174203-132-9n-Propyl benzenePropylbenzene, n-Propyl-benzeneNSC 16941Propylbenzene, analytical standardpropyl benzeneHSDB 5353EINECS 203-132-9UN2364UNII-0WR86ZHG2ZPropylbenzene (all isomers)AI3-23862
External database identifiers
- ChEBI:CHEBI:42630
- ChEMBL:CHEMBL286062
- EPA DTXSID:DTXSID3042219
- PubMed:22920542
- PubMed:22920300
- PubMed:22908585
- PubMed:22707827
- PubMed:22615643
- PubMed:22496687
- PubMed:22489201
- PubMed:22442670
- PubMed:22429339
- PubMed:22424076
- PubMed:22408406
- PubMed:22385806
Evidence from additional scientific databases
EMBL-EBI ChEBI
Exact identifier matchCHEBI:42630
propylbenzene
An alkylbenzene that is benzene having one of its aromatic hydrogens substituted by a propyl group.
- Formula
- C9H12
- Average mass
- 120.195 g/mol
- Monoisotopic mass
- 120.09390 Da
- Formal charge
- 0
- alkylbenzene — is a (CHEBI:38976)
- alkylbenzene — is a (CHEBI:38976)
Additional curated names
propylbenzene1-Phenylpropane1-PropylbenzeneIsocumenen-PropylbenzenePhenylpropane
Cross-references from this source
- CAS: 103-65-1 — ChemIDplus
- CAS: 103-65-1 — NIST Chemistry WebBook
- REGISTRY_NUMBER: 1903006 — Reaxys
- MANUAL_X_REF: HMDB0059877 — HMDB
Mapped by: Exact CAS cross-reference in the ChEBI compound record. Source updated: 2015-10-23. Retrieved: 2026-08-31. Open source record
NIH PubChem PUG-View
Exact identifier match7668
Attributed physical-property, hazard, environmental and use annotations.
- Autoignition Temperature: 842 °F Source: Hazardous Substances Data Bank (HSDB)
- Boiling Point: 318.2 °F at 760 mmHg (USCG, 1999) Source: CAMEO Chemicals
- Boiling Point: 159.2 °C Source: Hazardous Substances Data Bank (HSDB)
- Boiling Point: 159.24 °C @760 [mm Hg] Source: PAC Chemical Database, U.S. Department of Energy
- Color/Form: Colorless liquid Source: Hazardous Substances Data Bank (HSDB)
- Color/Form: Liquid Source: Hazardous Substances Data Bank (HSDB)
- Density: 0.862 (USCG, 1999) - Less dense than water; will float Source: CAMEO Chemicals
- Density: Specific gravity: 0.8620 @ 20 °C/4 °C Source: Hazardous Substances Data Bank (HSDB)
- Density: 0.8593 @25 °C Source: PAC Chemical Database, U.S. Department of Energy
- Flash Point: 118 °F (USCG, 1999) Source: CAMEO Chemicals
- Flash Point: 86 °F (closed cup) Source: Hazardous Substances Data Bank (HSDB)
- LogP: log Kow= 3.69 Source: Hazardous Substances Data Bank (HSDB)
- Melting Point: -146.2 °F (USCG, 1999) Source: CAMEO Chemicals
- Melting Point: -99.5 °C Source: Hazardous Substances Data Bank (HSDB)
- Melting Point: -99.6 °C Source: PAC Chemical Database, U.S. Department of Energy
- Physical Description: 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. Source: CAMEO Chemicals
- Physical Description: Liquid Source: EPA Chemical Data Reporting (CDR)
- Physical Description: Colorless liquid; [HSDB] Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
- Refractive Index: Index of refraction: 1.4920 @ 20 °C/D Source: Hazardous Substances Data Bank (HSDB)
- Solubility: Very slightly sol in water (0.06 g/l); sol in alcohol, ether Source: Hazardous Substances Data Bank (HSDB)
- Solubility: Miscible in ethanol, ethyl ether, and acetone Source: Hazardous Substances Data Bank (HSDB)
- Solubility: Water solubility of 23.4 mg/l at 25 °C. Source: Hazardous Substances Data Bank (HSDB)
- Vapor Pressure: 7.52 mmHg (USCG, 1999) Source: CAMEO Chemicals
- Vapor Pressure: 3.42 [mmHg] Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
- Vapor Pressure: 3.42 mm Hg @ 25 °C Source: Hazardous Substances Data Bank (HSDB)
- Vapor Pressure: 7.5 [mm Hg] @38 °C Source: PAC Chemical Database, U.S. Department of Energy
- First Aid: INHALATION: Call for medical aid. Remove the victim to fresh air. If not breathing give artificial respiration. If breathing is difficult, give oxygen.; SKIN: Wash with soap and copious amounts of water.; EYES: Flush with copious amounts of water for at least 15 minutes. (USCG, 1999) Source: CAMEO Chemicals
- ERG2024, Guide 128 (n-Propylbenzene): General First Aid:; · Call 911 or emergency medical service.; · Ensure that medical personnel are aware of the material(s) involved, take precautions to protect themselves and avoid contamination.; · Move victim to fresh air if it can be done safely.; · Administer oxygen if breathing is difficult.; · If victim is not breathing:; -- DO NOT perform mouth-to-mouth resuscitation; the victim may have ingested or inhaled the substance.; -- If equipped and pulse detected, wash face and mouth, then give artificial respiration using a proper respiratory medical device (bag-valve mask, pocket mask equipped with a one-way valve or other device).; -- If no pulse detected or no respiratory medical device available, provide continuous compressions. Conduct a pulse check every two minutes or monitor for any signs of spontaneous respirations.; · Remove and isolate contaminated clothing and shoes.; · For minor skin contact, avoid spreading material on unaffected skin.; · In case of contact with substance, remove immediately by flushing skin or eyes with running water for at least 20 minutes.; · For severe burns, immediate medical attention is required.; · Effects of exposure (inhalation, ingestion, Source: Emergency Response Guidebook (ERG)
- Signal: Danger Source: Regulation (EC) No 1272/2008 of the European Parliament and of the Council
- GHS Hazard Statements: H226: Flammable liquid and vapor [Warning Flammable liquids]; H304: May be fatal if swallowed and enters airways [Danger Aspiration hazard]; H335: May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]; H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] Source: Regulation (EC) No 1272/2008 of the European Parliament and of the Council
- Precautionary Statement Codes: 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) Source: Regulation (EC) No 1272/2008 of the European Parliament and of the Council
- Note: This chemical does not meet GHS hazard criteria for < 0.1% (1 of 1188) of reports. Source: European Chemicals Agency (ECHA)
- Signal: Danger Source: European Chemicals Agency (ECHA)
- GHS Hazard Statements: H226 (> 99.9%): Flammable liquid and vapor [Warning Flammable liquids]; H304 (> 99.9%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]; H319 (10.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (> 99.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]; H411 (> 99.9%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] Source: European Chemicals Agency (ECHA)
- Precautionary Statement Codes: P210, P233, P240, P241, P242, P243, P261, P264+P265, P271, P273, P280, P301+P316, P303+P361+P353, P304+P340, P305+P351+P338, P319, P331, P337+P317, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement) Source: European Chemicals Agency (ECHA)
- ECHA C&L Notifications Summary: Aggregated GHS information provided per 1188 reports by companies from 25 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.; Reported as not meeting GHS hazard criteria per 1 of 1188 reports by companies.; There are 24 notifications provided by 1187 of 1188 reports by companies with hazard statement code(s).; Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. Source: European Chemicals Agency (ECHA)
- Signal: Warning Source: NITE-CMC
- GHS Hazard Statements: H226: Flammable liquid and vapor [Warning Flammable liquids] Source: NITE-CMC
- Precautionary Statement Codes: P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement) Source: NITE-CMC
- Signal: Danger Source: Hazardous Chemical Information System (HCIS), Safe Work Australia
- NFPA Health Rating: 2 - Materials that, under emergency conditions, can cause temporary incapacitation or residual injury. Source: Hazardous Substances Data Bank (HSDB)
- NFPA Fire Rating: 3 - Liquids and solids that can be ignited under almost all ambient temperature conditions. Materials produce hazardous atmospheres with air under almost all ambient temperatures or, though unaffected by ambient temperatures, are readily ignited under almost all conditions. Source: Hazardous Substances Data Bank (HSDB)
- NFPA Instability Rating: 0 - Materials that in themselves are normally stable, even under fire conditions. Source: Hazardous Substances Data Bank (HSDB)
- Environmental Bioconcentration: An estimated BCF of 138 was calculated for n-propylbenzene(SRC), using a log Kow of 3.69(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is high. Source: Hazardous Substances Data Bank (HSDB)
- Environmental Fate: 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). Source: Hazardous Substances Data Bank (HSDB)
- Environmental Fate: 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). Source: Hazardous Substances Data Bank (HSDB)
- Environmental Fate: 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). Source: Hazardous Substances Data Bank (HSDB)
- Consumer Uses: Solvent; Not Known or Reasonably Ascertainable Source: EPA Chemical Data Reporting (CDR)
- Industry Uses: Fuel agents; Solvent Source: EPA Chemical Data Reporting (CDR)
- Sources/Uses: Used as a chemical intermediate and solvent for printing and textile dyeing; a constituent of asphalt and naphtha; [HSDB] Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
- Industrial Processes with risk of exposure: Textiles (Printing, Dyeing, or Finishing) [Category: Industry]; Silk-Screen Printing [Category: Other] Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
- Uses: Mfg methylstyrene; textile dyeing; printing solvent for cellulose acetate; asphalt and naphtha constituent. Source: Hazardous Substances Data Bank (HSDB)
Mapped by: Existing checksum-valid CAS to unique PubChem CID match. Retrieved: 2026-08-31. Open source record
Scientific classifications and hazard annotations provide context and do not replace the market-specific regulatory decision shown above.
Additional source coverage and match status
| Source | Result | Checked |
|---|---|---|
| EMBL-EBI ChEBI | Exact match | 2026-08-31 |
| NIH PubChem PUG-View | Exact match | 2026-08-31 |
A recorded no-match is useful evidence that the source was checked; it is not a claim that the substance does not exist elsewhere.
Retrieved from NIH PubChem on 2026-08-31 by checksum-valid CAS matching. Chemical properties do not replace the regulatory decision on this page.