Naphthalene
Athanor · official
C10H8 · 128.17 g/mol
Also called mothballs, naphthene, bicyclo aromatic
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
- Appearance
- White crystalline flakes ... Plates from ethanol[6]
9 values
From Hazardous Substances Data Bank (HSDB), the most authoritative source here.
Value As written Source – 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) –shown White 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.
Value As written Source –shown Aromatic 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).
Value As written Source 80.2 °C 176.4 °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 °C 80 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs) 80 °C 176 °F [4] Occupational Safety and Health Administration (OSHA) 80.3 °Cshown 80.26 °C [7] PAC Chemical Database, U.S. Department of Energy 80 °C 176 °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).
Value As written Source 218 °C 424 °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 °C 218 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs) 218 °C 424 °F [4] Occupational Safety and Health Administration (OSHA) 217.9 °Cshown 217.9 °C @760 [mm Hg] [7] PAC Chemical Database, U.S. Department of Energy 218 °C 424 °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).
Value As written Source – 1.15 (NIOSH, 2024) - Denser than water [1] CAMEO Chemicals –shown 1.16 g/cm³ [3] ILO-WHO International Chemical Safety Cards (ICSCs) – 1.15 [4] Occupational Safety and Health Administration (OSHA) – 1.0253 @ 20°C [7] PAC Chemical Database, U.S. Department of Energy – 1.15 [5] The National Institute for Occupational Safety and Health (NIOSH) - 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.
Value As written Source – 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) –shown Solubility 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).
Value As written Source – 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 –shown 3.35 [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).
Value As written Source 0.05 mmHg 0.05 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 mmHg 1 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 mmHgshown 0.085 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 mmHg Vapor 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).
Value As written Source 88 °C 190 °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 °C 174 °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 °Cshown 174 °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 °C 79 °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 °C 80 °C c.c. [3] ILO-WHO International Chemical Safety Cards (ICSCs) 79 °C 174 °F [4] Occupational Safety and Health Administration (OSHA) 79 °C 174 °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).
Value As written Source 526 °C 979 °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 °Cshown 979 °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 °C 540 °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
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
- 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
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
- NMRHazardous Substances Data Bank (HSDB) · NMRShiftDB
- 1H NMRHuman Metabolome Database (HMDB) (JEOL · 400 MHz · CDCl3) · SpectraBase (BRUKER AC-300)
- 13C NMRHuman Metabolome Database (HMDB) (Varian · 25.16 MHz · CDCl3) · SpectraBase
- GC-MSHuman Metabolome Database (HMDB) (EI-B · positive) · Human Metabolome Database (HMDB) (EI-B · positive) · Human Metabolome Database (HMDB) (EI-B · positive) · Human Metabolome Database (HMDB) (EI-B · positive) · Human Metabolome Database (HMDB) (EI-B · positive) · Human Metabolome Database (HMDB) (EI-B · positive)
- Other MSHazardous Substances Data Bank (HSDB) · MassBank Europe (VARIAN MAT-44 · EI-B · POSITIVE) · MassBank Europe (JEOL JMS-01-SG-2 · EI-B · POSITIVE) · MassBank Europe (HITACHI M-60 · EI-B · POSITIVE) · MassBank Europe (HITACHI RMU-6E · EI-B · POSITIVE) · MassBank Europe (HITACHI RMU-7M · EI-B · POSITIVE)
- UVHazardous Substances Data Bank (HSDB)
- IRHazardous Substances Data Bank (HSDB)
- FTIRSpectraBase (FILM (CAST FROM CHLOROFORM))
- ATR-IRSpectraBase (Bruker Tensor 27 FT-IR · ATR-Neat (DuraSamplIR II))
- Near IRSpectraBase (BRUKER IFS 88 · NIR Spectrometer= INSTRUMENT PARAMETERS=INST=BRUKER,RSN=19762,REO=2,CNM=HEI,ZFF=2)
- Vapor Phase IRSpectraBase (DIGILAB FTS-14 · Vapor Phase)
- RamanSpectraBase (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.
