Styrene
Athanor · official
C8H8 · 104.15 g/mol
Also called vinylbenzene, phenylethene, styrol
Names and identifiers
- IUPAC name
- styrene
- Synonyms
- vinylbenzene, phenylethene, styrol
+ 38 more
Ethenylbenzene, Phenylethylene, Vinylbenzene, Styrol, Cinnamene, Styrene monomer, Benzene, ethenyl-, Phenylethene, Styrolene, Phenethylene, Vinylbenzol, Styrole, Vinyl benzene, Styropol SO, Cinnamol, Styren, Benzene, vinyl-, Cinnamenol, Ethylene, phenyl-, Vinylbenzen, Stirolo, Styreen, Vinyl-benzene, NCI-C02200, FEMA No. 3233, DTXSID2021284, 44LJ2U959V, NSC-62785, DTXCID501284, CHEBI:27452, TTB 7302, Styropor, Monomer, Styrene, RefChem:9290, 202-851-5, 616-714-6, Bulstren K-525-19, Annamene
- Molecular formula
- C8H8
- Empirical formula
- CH
- Molecular weight
- 104.15 g/mol
- Exact mass
- 104.06260
- CAS number
- 100-42-5
- PubChem CID
- 7501
- Canonical SMILES
- C=CC1=CC=CC=C1
- Isomeric SMILES
- C=CC1=CC=CC=C1
- InChI
- InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2
- InChIKey
- PPBRXRYQALVLMV-UHFFFAOYSA-N
- Molfile
Names, InChI and the identifiers from PubChem, retrieved 2026-10-14.
Physical properties
- Appearance
- Viscous liquid[6]
6 values
From Hazardous Substances Data Bank (HSDB), the most authoritative source here.
Value As written Source – Styrene monomer, stabilized appears as a clear colorless to dark liquid with an aromatic odor. Vapors heavier than air and irritating to the eyes and mucous membranes. Subject to polymerization. If the polymerization takes place inside a closed container, the container may rupture violently. Less dense than water and insoluble in water. Used to make plastics, paints, and synthetic rubber. [1] CAMEO Chemicals – Liquid; Large Crystals; Liquid; Wet Solid; Gas Vapor; Wet Solid [2] EPA Chemical Data Reporting (CDR) – COLOURLESS-TO-YELLOW OILY LIQUID. [3] ILO-WHO International Chemical Safety Cards (ICSCs) – Colorless to yellow, oily liquid with a sweet, floral odor. [4] Occupational Safety and Health Administration (OSHA) – Colorless to yellow, oily liquid with a sweet, floral odor. [5] The National Institute for Occupational Safety and Health (NIOSH) –shown Viscous liquid [6] Hazardous Substances Data Bank (HSDB)cites IARC. Monographs on the Evaluation of the Carcinogenic Risk of Chemicals to Humans. Geneva: World Health Organization, International Agency for Research on Cancer, 1972-PRESENT. (Multivolume work). - Odor
- Sweet, floral odor[6]
3 values
From Hazardous Substances Data Bank (HSDB), the most authoritative source here.
Value As written Source – Characteristic, sweet, balsamic, almost floral odor that is extremely penetrating [6] Hazardous Substances Data Bank (HSDB)cites Burdock, G.A. (ed.). Fenaroli's Handbook of Flavor Ingredients. 6th ed.Boca Raton, FL 2010, p. 1856 –shown Sweet, floral odor [6] Hazardous Substances Data Bank (HSDB)cites NIOSH. NIOSH Pocket Guide to Chemical Hazards. Department of Health & Human Services, Centers for Disease Control & Prevention. National Institute for Occupational Safety & Health. DHHS (NIOSH) Publication No. 2010-168 (2010). Available from: https://www.cdc.gov/niosh/npg – If pure, sweet and pleasant, but usually contains aldehydes that have a typical penetrating smell, sharp, sweet, and unpleasant. [6] Hazardous Substances Data Bank (HSDB)cites Verschueren, K. Handbook of Environmental Data on Organic Chemicals. Volumes 1-2. 4th ed. John Wiley & Sons. New York, NY. 2001, p. 1899 - Melting point
- -30.65 °C[7]
5 values
5 of 5 sources agree on it (most common value).
Value As written Source −31 to −31 °C -24 to -23 °F (NTP, 1992) [1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina. −30.6 °C -30.6 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs) −31 °C -23 °F [4] Occupational Safety and Health Administration (OSHA) −30.6 °Cshown -30.65 °C [7] PAC Chemical Database, U.S. Department of Energy −31 °C -23 °F [5] The National Institute for Occupational Safety and Health (NIOSH) 4 more values were reported but failed the checks (unreadable or out of range), so they are not shown.
- Boiling point
- 145 °C[3]
5 values
5 of 5 sources agree on it (most common value).
Value As written Source 145 to 146 °C 293 to 295 °F at 760 mmHg (NTP, 1992) [1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina. 145 °Cshown 145 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs) 145 °C 293 °F [4] Occupational Safety and Health Administration (OSHA) 145 °C 145 °C @760 [mm Hg] [7] PAC Chemical Database, U.S. Department of Energy 145 °C 293 °F [5] The National Institute for Occupational Safety and Health (NIOSH) - Density
- 0.9016 @25 °C[7]
5 values
5 of 5 sources agree on it (most common value).
Value As written Source – 0.906 at 68 °F (USCG, 1999) - Less dense than water [1] CAMEO Chemicalscites U.S. Coast Guard. 1999. Chemical Hazard Response Information System (CHRIS) - Hazardous Chemical Data. Commandant Instruction 16465.12C. Washington, D.C.: U.S. Government Printing Office. – Relative density (water = 1): 0.91 [3] ILO-WHO International Chemical Safety Cards (ICSCs) – 0.91 [4] Occupational Safety and Health Administration (OSHA) –shown 0.9016 @25 °C [7] PAC Chemical Database, U.S. Department of Energy – 0.91 [5] The National Institute for Occupational Safety and Health (NIOSH) 2 more values were reported but failed the checks (unreadable or out of range), so they are not shown.
- Solubility in water
- Solubility in water, g/100ml at 20 °C: 0.03[3]
5 values
From ILO-WHO International Chemical Safety Cards (ICSCs), the most authoritative source here.
Value As written Source – less than 1 mg/mL at 66 °F (NTP, 1992) [1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina. – In water, 300 mg/L at 25 °C [6] Hazardous Substances Data Bank (HSDB)cites Yalkowsky, S.H., He, Yan, Jain, P. Handbook of Aqueous Solubility Data Second Edition. CRC Press, Boca Raton, FL 2010, p. 468 – For more Solubility (Complete) data for Styrene (6 total), please visit the HSDB record page. [6] Hazardous Substances Data Bank (HSDB) –shown Solubility in water, g/100ml at 20 °C: 0.03 [3] ILO-WHO International Chemical Safety Cards (ICSCs) – 0.03% [5] The National Institute for Occupational Safety and Health (NIOSH) - log P
- log Kow = 2.95[6]
2 values
2 of 2 sources agree on it (most common value).
Value As written Source –shown log Kow = 2.95 [6] Hazardous Substances Data Bank (HSDB)cites Hansch, C., Leo, A., D. Hoekman. Exploring QSAR - Hydrophobic, Electronic, and Steric Constants. Washington, DC: American Chemical Society., 1995., p. 40 – 3.0 [3] ILO-WHO International Chemical Safety Cards (ICSCs) - Vapor pressure
- 6.40 mmHg at 25 °C[6]
6 values
Sources disagree; from Hazardous Substances Data Bank (HSDB), the most authoritative.
Value As written Source 4.3 mmHg 4.3 mmHg at 59 °F [1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina. 9.5 mmHg 9.5 mmHg at 86 °F [1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina. 10 mmHg 10 mmHg at 95 °F (NTP, 1992) [1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina. 6.4 mmHgshown 6.40 mm Hg at 25 °C [6] Hazardous Substances Data Bank (HSDB)cites Chao J et al; J Phys Chem Ref Data 12: 1033-63 (1983) 5 mmHg Vapor pressure, kPa at 20 °C: 0.67 [3] ILO-WHO International Chemical Safety Cards (ICSCs) 7.5 mmHg 7.5 [mm Hg] @28.6 °C [7] PAC Chemical Database, U.S. Department of Energy 2 more values were reported but failed the checks (unreadable or out of range), so they are not shown.
- Flash point
- 32.0 °C (89.6 °F) - closed cup[6]
8 values
5 of 5 sources agree on it (most common value).
Value As written Source 31 °C 88 °F (NTP, 1992) [1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina. 32.0 °Cshown 32.0 °C (89.6 °F) - closed cup [6] Hazardous Substances Data Bank (HSDB)cites Sigma-Aldrich; Safety Data Sheet for Styrene. Product Number: 45993, Version 4.17 (Revision Date 06/02/2016). Available from, as of March 5, 2018: https://www.sigmaaldrich.com/safety-center.html 31 °C 88 °F (31 °C) - closed cup [6] Hazardous Substances Data Bank (HSDB)cites National Fire Protection Association; Fire Protection Guide to Hazardous Materials. 14TH Edition, Quincy, MA 2010, p. 325-104 34.4 °C 34.4 °C (Tag closed cup) [6] Hazardous Substances Data Bank (HSDB)cites NIOSH; Criteria Document: Stryene p.17 (1983) DHEW Pub. NIOSH 83-119 36.7 °C 36.7 °C (Tag open cup). [6] Hazardous Substances Data Bank (HSDB)cites NIOSH; Criteria Document: Stryene p.17 (1983) DHEW Pub. NIOSH 83-119 31 °C 31 °C c.c. [3] ILO-WHO International Chemical Safety Cards (ICSCs) 31 °C 88 °F [4] Occupational Safety and Health Administration (OSHA) 31 °C 88 °F [5] The National Institute for Occupational Safety and Health (NIOSH) - Autoignition temperature
- 490 °C[3]
3 values
3 of 3 sources agree on it (most common value).
Value As written Source 490 °C 914 °F (USCG, 1999) [1] CAMEO Chemicalscites U.S. Coast Guard. 1999. Chemical Hazard Response Information System (CHRIS) - Hazardous Chemical Data. Commandant Instruction 16465.12C. Washington, D.C.: U.S. Government Printing Office. 490 °C 914 °F (490 °C) [6] Hazardous Substances Data Bank (HSDB)cites National Fire Protection Association; Fire Protection Guide to Hazardous Materials. 14TH Edition, Quincy, MA 2010, p. 325-104 490 °Cshown 490 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs) - Viscosity
- 0.696 cP at 25 °C[6]
Each value as its source reports it, with the source's number after it (listed under References). Where several sources report a property, the row shows the value most of them agree on, the rule the app uses; open the values to see every one.
Calculated
- Heavy atoms
- 8
- Rings
- 1
- Aromatic rings
- 1
- Fraction sp³ carbons (Fsp3)
- 0
- H-bond donors
- 0
- H-bond acceptors
- 0
- Rotatable bonds
- 1
- TPSA (Ų)
- 0
- Formal charge
- 0
- XLogP3
- 2.9 PubChem
- Complexity
- 68 PubChem
- Stereocenters
- None
- Double-bond geometry
- None specified
- Point group
- Cs of one 3D conformer with its hydrogens, by Athanor’s engine (as in the app)
Elemental analysis
- C92.26%
- H7.74%
Isotope pattern
Each peak is a nominal mass with its abundance-weighted exact mass, as a percentage of the tallest, from IUPAC natural isotope abundances.
Computed from the structure with RDKit 2026.09 when this page was built, beside PubChem's own computed values from its record; where the two differ, both are shown.
Predicted
- log P
- 2.33 Crippen (Wildman and Crippen 1999)
- log S (water solubility)
- -2.44 ESOL (Delaney 2004), log mol/L
- Synthetic accessibility
- 1.55 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)
Drug-likeness: Lipinski’s rule of five
- Molecular weight ≤ 500: 104.15
- log P ≤ 5 (Crippen): 2.33
- H-bond donors ≤ 5: 0
- H-bond acceptors ≤ 10: 0
Passes all four rules.
¹³C NMR shifts, predicted
Predictions, not measurements; each names its method. A measured log P, where a source reports one, is under Physical properties.
Safety
Danger
Harmonized EU classification (CLP Annex VI). Source [8].
Flammable
Harmful or irritant
Health hazard
- H226Flammable liquid and vapor
- H315Causes skin irritation
- H319Causes serious eye irritation
- H332Harmful if inhaled
- H361dSuspected of damaging the unborn child
- H372Causes damage to organs through prolonged or repeated exposure
Precautionary statements: P203, P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P318, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, P405, P501
View all classifications (6)
- [8] Regulation (EC) No 1272/2008 of the European Parliament and of the Council · DangerH226, H315, H319, H332, H361d, H372
- [9] European Chemicals Agency (ECHA)This chemical does not meet GHS hazard criteria for < 0.1% (3 of 6114) of reports.
- [9] European Chemicals Agency (ECHA) · 6,114 reports · DangerH304, H319, H332, H335, H361, H372, H412
- [9] European Chemicals Agency (ECHA) · 39 reports · WarningH226, H315, H319, H332
- [9] European Chemicals Agency (ECHA) · WarningH315, H319, H335, H413
- [6] Hazardous Substances Data Bank (HSDB) · DangerH226, H315, H319, H332, H351, H361, H372, H401
Exposure limits
- PEL-TWA (8-Hour Time Weighted Average): 100 ppm[4]
- PEL-C (Ceiling): 200 ppm; 600 ppm (Peak) for a single time period up to 5 min in any 3 hours[4]
- PEL: TWA 100 ppm C 200 ppm 600 ppm (5-minute maximum peak in any 3 hours) See Appendix G[5]
- REL-TWA (Time Weighted Average): 50 ppm (215 mg/m³)[4]
- REL-STEL (Short Term Exposure Limit): 100 ppm (425 mg/m³)[4]
- REL: TWA 50 ppm (215 mg/m3) ST 100 ppm (425 mg/m3)[5]
First aid
- Eyes: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. Immediately transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. Skin: Immediately flood affected skin with water while removing and isolating all contaminated clothing.[1]
- 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…[10]
- (General first aid procedures) Eye: Irrigate immediately - If this chemical contacts the eyes, immediately wash (irrigate) the eyes with large amounts of water, occasionally lifting the lower and upper lids. Get medical attention immediately. Skin: Water flush - If this chemical contacts the skin, flush the contaminated skin with water. Where there is evidence of skin irritation, get medical attention. Breathing: Respiratory support Swallow: Medical attention immediately - If this chemical has been swallowed, get medical attention immediately.[5]
- Fresh air, rest. Refer for medical attention.[3]
Storage
- Fireproof. Separated from incompatible materials. See Chemical Dangers. Cool. Keep in the dark. Store only if stabilized. Store in an area without drain or sewer access.[3]
- Keep container tightly closed in a dry and well-ventilated place. Containers which are opened must be carefully resealed and kept upright to prevent leakage. Recommended storage temperature 2 - 8 °C. Storage class (TRGS 510): Flammable liquids.[6]
- Must be inhibited during storage.[6]
- Store in a cool, dry, well-ventilated place. Separate from oxidizing materials, peroxides, and metal salts. (styrene monomer, inhibited)[6]
Incompatibilities
- Incompatible materials: Oxidizing agents, copper.[6]
- Avoid acids, oxidizing materials, peroxides, metal salta such as iron chloride or aluminum chloride, and polymer initiators. (styrene monomer, inhibited)[6]
- Oxidizers, catalysts for vinyl polymers, peroxides, strong acids, aluminum chloride [Note: May polymerize if contaminated or subjected to heat. Usually contains an inhibitor such as tert-butylcatechol].[6]
- Reacts with oxygen above 40 °C to form a heat-sensitive explosive peroxide. Violent or explosive polymerization may be initiated by alkali-metal-graphite composites; butyllithium; dibenzoyl peroxide; other initiators (e.g., azoisobutyronitrile; di-tert-butyl peroxide). Reacts violently with chlorosulfonic acid; oleum; sulfuric acid; chlorine + iron(III)chloride (above 50 °C). May ignite when heated with air + polymerizing polystyrene. Can react vigorously with oxidizing materials.[6]
Safety data sheets on the supplier’s page: J&H Chemical Co.,ltd, Alfa Chemistry, Aladdin Scientific.
Always read the supplier’s safety data sheet before working with it.
Spectra
- NMRHazardous Substances Data Bank (HSDB) · NMRShiftDB
- 1H NMRHuman Metabolome Database (HMDB) (JEOL · 90 MHz · CDCl3) · SpectraBase (BRUKER AC-300)
- 13C NMRHuman Metabolome Database (HMDB) (NEVA · 15.09 MHz · CDCl3) · SpectraBase
- GC-MSHuman Metabolome Database (HMDB) (CI-B · positive) · MassBank Europe (Bruker 450 GC coupled to maXis Impact · GC-APCI-QTOF · POSITIVE) · MassBank Europe (Bruker 450 GC coupled to maXis Impact · GC-APCI-QTOF · POSITIVE) · MassBank Europe (Bruker 450 GC coupled to maXis Impact · GC-APCI-QTOF · POSITIVE) · MassBank of North America (MoNA) (FINNIGAN-MAT 4500 · CI-B · positive) · MassBank of North America (MoNA) (FINNIGAN-MAT 4500 · CI-B · positive)
- MS-MSHuman Metabolome Database (HMDB) (LC-ESI-QFT · positive) · Human Metabolome Database (HMDB) (n/a · positive) · Human Metabolome Database (HMDB) (n/a · positive) · Human Metabolome Database (HMDB) (n/a · positive) · Human Metabolome Database (HMDB) (n/a · positive) · Human Metabolome Database (HMDB) (n/a · positive)
- LC-MSMassBank of North America (MoNA) (Thermo Q Exactive HF · LC-ESI-QFT · positive)
- Other MSHazardous Substances Data Bank (HSDB) · MassBank Europe (FINNIGAN-MAT 4500 · CI-B · POSITIVE)
- UVHazardous Substances Data Bank (HSDB)
- IRHazardous Substances Data Bank (HSDB)
- FTIRSpectraBase (NEAT)
- ATR-IRSpectraBase (Bio-Rad FTS · ATR-Neat (DurasamplIR II))
- Near IRSpectraBase (BRUKER IFS 88 · NIR)
- Vapor Phase IRSpectraBase (Bruker IFS 85 · Gas-GC)
- RamanSpectraBase (Bruker MultiRAM Stand Alone FT-Raman Spectrometer · FT-Raman)
Experimental spectra held by these sources; each link opens the source's own record.
Literature
Reading PubChem, OpenAlex and GSRS…
Bioactivity
Reading ChEMBL…
References
- [1]CAMEO Chemicals · Public domain (NOAA) · via PubChem · retrieved 2026-10-14
- [2]EPA Chemical Data Reporting (CDR) · Public domain (US EPA) · via PubChem · retrieved 2026-10-14
- [3]ILO-WHO International Chemical Safety Cards (ICSCs) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
- [4]Occupational Safety and Health Administration (OSHA) · Public domain (US DOL) · via PubChem · retrieved 2026-10-14
- [5]The National Institute for Occupational Safety and Health (NIOSH) · Public domain (US CDC) · via PubChem · retrieved 2026-10-14
- [6]Hazardous Substances Data Bank (HSDB) · Public domain (US NLM) · via PubChem · retrieved 2026-10-14
- [7]PAC Chemical Database, U.S. Department of Energy · Public domain (US DOE) · via PubChem · retrieved 2026-10-14
- [8]Regulation (EC) No 1272/2008 of the European Parliament and of the Council · EU reuse policy, CC BY 4.0 · via PubChem · retrieved 2026-10-14
- [9]European Chemicals Agency (ECHA) · ECHA legal notice: reuse with acknowledgement · via PubChem · retrieved 2026-10-14
- [10]Emergency Response Guidebook (ERG) · Public domain (US DOT) · via PubChem · retrieved 2026-10-14
- [11]NMRShiftDB · Linked only · via PubChem · retrieved 2026-10-14
- [12]Human Metabolome Database (HMDB) · Linked only · via PubChem · retrieved 2026-10-14
- [13]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
- [14]MassBank Europe · Linked only · via PubChem · retrieved 2026-10-14
- [15]MassBank of North America (MoNA) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
- [16]NIST Mass Spectrometry Data Center · Linked only · via PubChem · retrieved 2026-10-14
- ·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
- ·Literature on PubChem
Data last updated 2026-10-14.
