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Naphthalene

Athanor · official

C10H8 · 128.17 g/mol

Also called mothballs, naphthene, bicyclo aromatic

Open in Athanor
The structure of Naphthalene
Drawn from its SMILES with RDKit220
Harmful or irritantHealth hazardEnvironmental hazardWarningHarmful if swallowed · Suspected of causing cancer · Very toxic to aquatic life · Very toxic to aquatic life with long lasting effects

Names and identifiers

IUPAC name
naphthalene
Synonyms
mothballs, naphthene, bicyclo aromatic
+ 38 more

Naphthalin, Tar camphor, White tar, Albocarbon, Naphthene, Camphor tar, naphtalene, Naphthaline, Moth balls, Moth flakes, Dezodorator, Naftalen, Mighty 150, Naphthalinum, RCRA waste number U165, Mighty RD1, Naphtalinum, NCI-C52904, DTXSID8020913, NSC-37565, 2166IN72UN, DTXCID00913, CHEBI:16482, NSC37565, RefChem:6660, 202-049-5, naftaleno, napthalene, Mothballs, naftalina, naphtaline, naphthalen, C10H8, NSC 37565, MFCD00001742, CHEMBL16293, NAPHTHALENE-1,4-D2, Naphthalene, 99%

Molecular formula
C10H8
Empirical formula
C5H4
Molecular weight
128.17 g/mol
Exact mass
128.06260
CAS number
91-20-3
PubChem CID
931
Canonical SMILES
C1=CC=C2C=CC=CC2=C1
Isomeric SMILES
C1=CC=C2C=CC=CC2=C1
InChI
InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H
InChIKey
UFWIBTONFRDIAS-UHFFFAOYSA-N
Molfile

Names, InChI and the identifiers from PubChem, retrieved 2026-10-14.

Physical properties

TemperaturePressureDensity
Appearance
White crystalline flakes ... Plates from ethanol[6]
9 values

From Hazardous Substances Data Bank (HSDB), the most authoritative source here.

ValueAs writtenSource
–Naphthalene appears as a white crystalline volatile solid with a strong coal-tar odor. The solid is denser than water and insoluble in water. Burns, but may be difficult to ignite. In the molten form it is very hot. Exposure to skin must be avoided. Also the vapors given off by the material may be toxic. Used as a moth repellent, fumigant, lubricants, and to make other chemicals, and for many other uses[1] CAMEO Chemicals
–Naphthalene, methylnaphthalenes appears as a black liquid with the odor of coal tar. Negligibly soluble in water. Slightly denser than water. Vapors, fumes or direct contact may irritate the eyes. Direct skin contact may produce severe burns. Inhalation may produce mucous irritation, dizziness, loss of coordination, cardiovascular collapse and death.[1] CAMEO Chemicals
–Liquid; Other Solid; Gas Vapor; CBI; Large Crystals[2] EPA Chemical Data Reporting (CDR)
–WHITE SOLID IN VARIOUS FORMS WITH CHARACTERISTIC ODOUR.[3] ILO-WHO International Chemical Safety Cards (ICSCs)
–A white crystalline volatile solid with a strong coal-tar odor.[4] Occupational Safety and Health Administration (OSHA)
–Colorless to brown solid with an odor of mothballs. [Note: Shipped as a molten solid.][5] The National Institute for Occupational Safety and Health (NIOSH)
–shownWhite crystalline flakes ... Plates from ethanol[6] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J. Sr. (ed) Sax's Dangerous Properties of Industrial Materials. 11th Edition. Wiley-Interscience, Wiley & Sons, Inc. Hoboken, NJ. 2004., p. V3: 2594
–WHITE SCALES, BALLS, POWDER OR CAKES[6] Hazardous Substances Data Bank (HSDB)cites Rossoff, I.S. Handbook of Veterinary Drugs. New York: Springer Publishing Company, 1974., p. 377
–Colorless to brown solid ... [Note: Shipped as a molten solid][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
Odor
Aromatic odor[6]
3 values

From Hazardous Substances Data Bank (HSDB), the most authoritative source here.

ValueAs writtenSource
–shownAromatic odor[6] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J. Sr. (ed) Sax's Dangerous Properties of Industrial Materials. 11th Edition. Wiley-Interscience, Wiley & Sons, Inc. Hoboken, NJ. 2004., p. V3: 2594
–Odor of mothballs[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
–Characteritic odor (plates)[6] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J. Sr. (ed) Sax's Dangerous Properties of Industrial Materials. 11th Edition. Wiley-Interscience, Wiley & Sons, Inc. Hoboken, NJ. 2004., p. V3: 2594
Melting point
80.26 °C[7]
5 values

5 of 5 sources agree on it (most common value).

ValueAs writtenSource
80.2 °C176.4 °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.
80 °C80 °C[3] ILO-WHO International Chemical Safety Cards (ICSCs)
80 °C176 °F[4] Occupational Safety and Health Administration (OSHA)
80.3 °Cshown80.26 °C[7] PAC Chemical Database, U.S. Department of Energy
80 °C176 °F[5] The National Institute for Occupational Safety and Health (NIOSH)
Boiling point
217.9 °C @760 [mmHg][7]
5 values

5 of 5 sources agree on it (most common value).

ValueAs writtenSource
218 °C424 °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.
218 °C218 °C[3] ILO-WHO International Chemical Safety Cards (ICSCs)
218 °C424 °F[4] Occupational Safety and Health Administration (OSHA)
217.9 °Cshown217.9 °C @760 [mm Hg][7] PAC Chemical Database, U.S. Department of Energy
218 °C424 °F[5] The National Institute for Occupational Safety and Health (NIOSH)
Density
1.16 g/cm³[3]
5 values

4 of 5 sources agree on it (most common value).

Solubility in water
Solubility in water at 20 °C: very poor[3]
4 values

From ILO-WHO International Chemical Safety Cards (ICSCs), the most authoritative source here.

ValueAs writtenSource
–less than 1 mg/mL at 72 °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, 31 mg/L at 25 °C[6] Hazardous Substances Data Bank (HSDB)cites Pearlman RS et al; J Chem Ref Data 13: 555-562 (1984)
–shownSolubility in water at 20 °C: very poor[3] ILO-WHO International Chemical Safety Cards (ICSCs)
–0.003%[5] The National Institute for Occupational Safety and Health (NIOSH)
log P
3.35[3]
2 values

2 of 2 sources agree on it (most common value).

ValueAs writtenSource
–log Kow = 3.30[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. 66
–shown3.35[3] ILO-WHO International Chemical Safety Cards (ICSCs)
Vapor pressure
0.085 mmHg at 25 °C[6]
4 values

2 of 3 sources agree on it (most common value).

ValueAs writtenSource
0.05 mmHg0.05 mmHg at 68 °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.
1 mmHg1 mmHg at 126.7 °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.
0.085 mmHgshown0.085 mm Hg at 25 °C[6] Hazardous Substances Data Bank (HSDB)cites Ambrose D et al; J Chem Soc Trans 71: 35-41 (1975)
0.083 mmHgVapor pressure, Pa at 25 °C: 11[3] ILO-WHO International Chemical Safety Cards (ICSCs)

2 more values were reported but failed the checks (unreadable or out of range), so they are not shown.

Flash point
79 °C (174 °F)[6]
7 values

5 of 5 sources agree on it (most common value).

ValueAs writtenSource
88 °C190 °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.
79 °C174 °F (NFPA, 2010)[1] CAMEO Chemicalscites National Fire Protection Association. 2010. Fire Protection Guide to Hazardous Materials, 14th edition, edited by Guy R. Colonna. Quincy, MA: National Fire Protection Association. Note that this information is subject to the copyright restrictions of the organization that provided the data.
79 °Cshown174 °F[6] Hazardous Substances Data Bank (HSDB)cites National Fire Protection Association; Fire Protection Guide to Hazardous Materials. 14TH Edition, Quincy, MA 2010, p. 325-91
79 °C79 °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. 325-91
80 °C80 °C c.c.[3] ILO-WHO International Chemical Safety Cards (ICSCs)
79 °C174 °F[4] Occupational Safety and Health Administration (OSHA)
79 °C174 °F[5] The National Institute for Occupational Safety and Health (NIOSH)
Autoignition temperature
526 °C (979 °F)[6]
3 values

2 of 3 sources agree on it (most common value).

ValueAs writtenSource
526 °C979 °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.
526 °Cshown979 °F (526 °C)[6] Hazardous Substances Data Bank (HSDB)cites National Fire Protection Association; Fire Protection Guide to Hazardous Materials. 14TH Edition, Quincy, MA 2010, p. 325-91
540 °C540 °C[3] ILO-WHO International Chemical Safety Cards (ICSCs)
Viscosity
0.754 cP at 20 °C[6]
Refractive index
Index of refraction: 1.4003 at 24 °C/D[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
10
Rings
2
Aromatic rings
2
Fraction sp³ carbons (Fsp3)
0
H-bond donors
0
H-bond acceptors
0
Rotatable bonds
0
TPSA (Ų)
0
Formal charge
0
XLogP3
3.3 PubChem
Complexity
80 PubChem
Stereocenters
None
Double-bond geometry
None specified
Point group
D2h of one 3D conformer with its hydrogens, by Athanor’s engine (as in the app)

Elemental analysis

  • C93.71%
  • H6.29%

Isotope pattern

100%128.06311%129.066130.069

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
2.84 Crippen (Wildman and Crippen 1999)
log S (water solubility)
-3.16 ESOL (Delaney 2004), log mol/L
Synthetic accessibility
1 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

  • Molecular weight ≤ 500: 128.17
  • log P ≤ 5 (Crippen): 2.84
  • 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

Warning

Harmonized EU classification (CLP Annex VI). Source [8].

  • Harmful or irritant
  • Health hazard
  • Environmental hazard
220
NFPA 704[6]
  • H302Harmful if swallowed
  • H351Suspected of causing cancer
  • H400Very toxic to aquatic life
  • H410Very toxic to aquatic life with long lasting effects

Precautionary statements: P203, P264, P270, P273, P280, P301+P317, P318, P330, P391, P405, P501

View all classifications (3)
  • [8] Regulation (EC) No 1272/2008 of the European Parliament and of the Council · WarningH302, H351, H400, H410
  • [9] European Chemicals Agency (ECHA)This chemical does not meet GHS hazard criteria for < 0.1% (1 of 2947) of reports.
  • [9] European Chemicals Agency (ECHA) · 2,947 reports · DangerH228, H302, H351, H400, H410

Exposure limits

  • PEL-TWA (8-Hour Time Weighted Average): 10 ppm (50 mg/m³)[4]
  • PEL: TWA 10 ppm (50 mg/m3) See Appendix G[5]
  • REL-STEL (Short Term Exposure Limit): 15 ppm (75 mg/m³)[4]
  • REL: TWA 10 ppm (50 mg/m3) ST 15 ppm (75 mg/m3)[5]
  • TLV: 10 ppm as TWA; (skin); A3 (confirmed animal carcinogen with unknown relevance to humans).[3]
  • TLV-TWA (Time Weighted Average): 10 ppm (52 mg/m³) [2013][4]

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]
  • Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]: Refer to the "General First Aid" section. Specific First Aid: For corrosives, in case of contact, immediately flush skin or eyes with running water for at least 30 minutes. Additional flushing may be required. (ERG, 2024)[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: Molten flush immediately/solid-liquid soap wash promptly Breathing: Respiratory support Swallow: Medical attention immediately - If this chemical has been swallowed, get medical attention immediately.[5]

Storage

  • Separated from strong oxidants and food and feedstuffs. Store in an area without drain or sewer access. Provision to contain effluent from fire extinguishing.[3]
  • Without inert-gas blanketing and at the temperature normally used for the storage of molten naphthalene, i.e., 90 °C, the vapors above the liquid are within the flammability limits. Thus, storage tanks containing molten naphthalene have a combustible mixture in the vapor space and care must be taken to eliminate all sources of ignition around such systems. Naphthalene dust can form explosive mixtures with air which necessitates the design and operation of solid handling systems.[6]
  • Store in a cool, dry, well-ventilated location. Separate from oxidizing materials. May be stored under nitrogen gas.[6]
  • Always store in a cool, dry, dark place.[6]

Incompatibilities

  • Naphthalene ...will react violently with chromic anhydride.[6]
  • Strong oxidizers, chromic anhydride.[6]
  • Reacts violently with chromium trioxide, aluminum chloride and benzoyl chloride.[6]
  • Explosive reaction with dinitrogen pentaoxide.[6]

Safety data sheets on the supplier’s page: Hunan Chemfish Pharmaceutical Co., Ltd., CATO Research Chemicals Inc., Sigma-Aldrich.

Always read the supplier’s safety data sheet before working with it.

Spectra

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. [1]CAMEO Chemicals · Public domain (NOAA) · via PubChem · retrieved 2026-10-14
  2. [2]EPA Chemical Data Reporting (CDR) · Public domain (US EPA) · via PubChem · retrieved 2026-10-14
  3. [3]ILO-WHO International Chemical Safety Cards (ICSCs) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
  4. [4]Occupational Safety and Health Administration (OSHA) · Public domain (US DOL) · via PubChem · retrieved 2026-10-14
  5. [5]The National Institute for Occupational Safety and Health (NIOSH) · Public domain (US CDC) · via PubChem · retrieved 2026-10-14
  6. [6]Hazardous Substances Data Bank (HSDB) · Public domain (US NLM) · via PubChem · retrieved 2026-10-14
  7. [7]PAC Chemical Database, U.S. Department of Energy · Public domain (US DOE) · via PubChem · retrieved 2026-10-14
  8. [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. [9]European Chemicals Agency (ECHA) · ECHA legal notice: reuse with acknowledgement · via PubChem · retrieved 2026-10-14
  10. [10]Emergency Response Guidebook (ERG) · Public domain (US DOT) · via PubChem · retrieved 2026-10-14
  11. [11]NMRShiftDB · Linked only · via PubChem · retrieved 2026-10-14
  12. [12]Human Metabolome Database (HMDB) · Linked only · via PubChem · retrieved 2026-10-14
  13. [13]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
  14. [14]MassBank Europe · Linked only · via PubChem · retrieved 2026-10-14
  15. [15]MassBank of North America (MoNA) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
  16. [16]NIST Mass Spectrometry Data Center · Linked only · via PubChem · retrieved 2026-10-14
  17. ·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
  18. ·Literature on PubChem

Data last updated 2026-10-14.