p-Cresol

Athanor · official

C₇H₈O · 108.14 g/mol

IUPAC name: 4-methylphenol

Also called 4-methylphenol, cresol, paracresol

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Drawn from its SMILES with RDKit

DangerToxic if swallowed · Toxic in contact with skin · Causes severe skin burns and eye damage

Names and identifiers

IUPAC name: 4-methylphenol
Synonyms: 4-methylphenol, cresol, paracresol
+ 38 more
4-Methylphenol, 4-Cresol, 4-Hydroxytoluene, p-Methylphenol, p-Hydroxytoluene, p-Tolyl alcohol, Phenol, 4-methyl-, para-Cresol, p-Kresol, p-Toluol, p-Oxytoluene, p-Cresylic acid, Paracresol, 1-Hydroxy-4-methylbenzene, p-Methylhydroxybenzene, 1-Methyl-4-hydroxybenzene, Paramethyl phenol, 4-methyl phenol, RCRA waste number U052, FEMA No. 2337, DTXSID7021869, 1MXY2UM8NV, NSC-3696, DTXCID101869, CHEBI:17847, NSC3696, RefChem:169303, 203-398-6, para-Cresylic acid, Cresol, para-, Cresol, p-, p-Kresol [German], 4-methyl-phenol, Cresol, p-isomer, CRESOL, PARA, p-Methyl phenol, 4-methylphenol (p-cresol), NSC 3696
Molecular formula: C₇H₈O
Empirical formula: C₇H₈O
Molecular weight: 108.14 g/mol
Exact mass: 108.05751
CAS number: 106-44-5
PubChem CID: 2879
Canonical SMILES: CC1=CC=C(C=C1)O
Isomeric SMILES: CC1=CC=C(C=C1)O
InChI: InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3
InChIKey: IWDCLRJOBJJRNH-UHFFFAOYSA-N
Molfile

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

Physical properties

TemperaturePressureDensity

Appearance: Crystalline solid [Note: A liquid above 95 degees F][5]
5 values
From Hazardous Substances Data Bank (HSDB), the most authoritative source here.
Value As written Source
– P-cresol is a colorless solid with a tar like odor. Sinks and mixes slowly with water. (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.
– Liquid [2] EPA Chemical Data Reporting (CDR)
– COLOURLESS CRYSTALS WITH CHARACTERISTIC ODOUR. TURNS DARK ON EXPOSURE TO AIR AND LIGHT. [3] ILO-WHO International Chemical Safety Cards (ICSCs)
– Crystalline solid with a sweet, tarry odor. [Note: A liquid above 95 °F.] [4] The National Institute for Occupational Safety and Health (NIOSH)
–shown Crystalline solid [Note: A liquid above 95 degees F] [5] 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: Sweet, tarry odor[5]
Melting point: 34.8 °C (94.6 °F, NTP 1992)[1]
3 values
3 of 3 sources agree on it (most common value).
Value As written Source
34.8 °Cshown 94.6 °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.
35 °C 35 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs)
35 °C 95 °F [4] The National Institute for Occupational Safety and Health (NIOSH)
Boiling point: 201.8 °C (395.2 °F) at 760 mmHg (NTP, 1992)[1]
3 values
3 of 3 sources agree on it (most common value).
Value As written Source
201.8 °Cshown 395.2 °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.
202 °C 202 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs)
202 °C 396 °F [4] The National Institute for Occupational Safety and Health (NIOSH)
Density: 1.034 at 20 °C (68 °F) (USCG, 1999) - Denser than water[1]
3 values
3 of 3 sources agree on it (most common value).
Value As written Source
–shown 1.034 at 68 °F (USCG, 1999) - Denser 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.
– 1.02 g/cm³ [3] ILO-WHO International Chemical Safety Cards (ICSCs)
– 1.04 [4] 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 25 °C: 1.9 (moderate)[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 70 °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, 2.15X10+4 mg/L at 25 °C [5] 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. 396
– Soluble in vegetable oils, glycerin and dilute alkai [5] Hazardous Substances Data Bank (HSDB)cites Cavender FL, O'Donohue J; Phenol and Phenolics. Patty's Toxicology. 6th ed. (1999-2014). New York, NY: John Wiley & Sons, Inc. On-line posting date: Aug 12, 2012.
–shown Solubility in water, g/100ml at 25 °C: 1.9 (moderate) [3] ILO-WHO International Chemical Safety Cards (ICSCs)
– 2% [4] The National Institute for Occupational Safety and Health (NIOSH)
log P: 1.94[3]
2 values
2 of 2 sources agree on it (most common value).
Value As written Source
– log Kow = 1.94 [5] 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. 32
–shown 1.94 [3] ILO-WHO International Chemical Safety Cards (ICSCs)
pKa: pKa = 10.26[5]
Vapor pressure: Vapor pressure, Pa at 25 °C: 15[3]
4 values
3 of 3 sources agree on it (most common value).
Value As written Source
0.04 mmHg 0.04 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.
0.11 mmHg 0.11 mmHg at 77 °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.
0.11 mmHg 0.11 mm Hg at 25 °C [5] Hazardous Substances Data Bank (HSDB)cites Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
0.11 mmHgshown Vapor pressure, Pa at 25 °C: 15 [3] ILO-WHO International Chemical Safety Cards (ICSCs)
1 more value was reported but failed the checks (unreadable or out of range), so it is not shown.
Flash point: 86 °C (187 °F) (Closed cup)[5]
5 values
4 of 4 sources agree on it (most common value).
Value As written Source
86 °C 187 °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.
85 °C 85 °C (185 °F) - closed cup [5] Hazardous Substances Data Bank (HSDB)cites Sigma-Aldrich; Material Safety Data Sheet for p-Cresol, Product Number: C85751, Version 4.3 (Revision Date 06/27/2014). Available from, as of December 16, 2014: https://www.sigmaaldrich.com/safety-center.html
86 °Cshown 187 °F (86 °C) (Closed cup) [5] Hazardous Substances Data Bank (HSDB)cites National Fire Protection Association; Fire Protection Guide to Hazardous Materials. 14TH Edition, Quincy, MA 2010, p. 49-48
86 °C 86 °C c.c. [3] ILO-WHO International Chemical Safety Cards (ICSCs)
86 °C 187 °F [4] The National Institute for Occupational Safety and Health (NIOSH)
Autoignition temperature: 558 °C (1038 °F)[5]
3 values
2 of 3 sources agree on it (most common value).
Value As written Source
559 °C 1038 °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.
559 °Cshown 1038 °F (558 °C) [5] Hazardous Substances Data Bank (HSDB)cites National Fire Protection Association; Fire Protection Guide to Hazardous Materials. 14TH Edition, Quincy, MA 2010, p. 49-48
555 °C 555 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs)
Viscosity: 4.48 mPa.s (cP) at 50 °C[5]

Value	As written	Source
–	P-cresol is a colorless solid with a tar like odor. Sinks and mixes slowly with water. (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.
–	Liquid	[2] EPA Chemical Data Reporting (CDR)
–	COLOURLESS CRYSTALS WITH CHARACTERISTIC ODOUR. TURNS DARK ON EXPOSURE TO AIR AND LIGHT.	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
–	Crystalline solid with a sweet, tarry odor. [Note: A liquid above 95 °F.]	[4] The National Institute for Occupational Safety and Health (NIOSH)
–shown	Crystalline solid [Note: A liquid above 95 degees F]	[5] 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

Value	As written	Source
34.8 °Cshown	94.6 °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.
35 °C	35 °C	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
35 °C	95 °F	[4] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
201.8 °Cshown	395.2 °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.
202 °C	202 °C	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
202 °C	396 °F	[4] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
–shown	1.034 at 68 °F (USCG, 1999) - Denser 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.
–	1.02 g/cm³	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
–	1.04	[4] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
–	less than 1 mg/mL at 70 °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, 2.15X10+4 mg/L at 25 °C	[5] 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. 396
–	Soluble in vegetable oils, glycerin and dilute alkai	[5] Hazardous Substances Data Bank (HSDB)cites Cavender FL, O'Donohue J; Phenol and Phenolics. Patty's Toxicology. 6th ed. (1999-2014). New York, NY: John Wiley & Sons, Inc. On-line posting date: Aug 12, 2012.
–shown	Solubility in water, g/100ml at 25 °C: 1.9 (moderate)	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
–	2%	[4] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
–	log Kow = 1.94	[5] 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. 32
–shown	1.94	[3] ILO-WHO International Chemical Safety Cards (ICSCs)

Value	As written	Source
0.04 mmHg	0.04 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.
0.11 mmHg	0.11 mmHg at 77 °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.
0.11 mmHg	0.11 mm Hg at 25 °C	[5] Hazardous Substances Data Bank (HSDB)cites Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
0.11 mmHgshown	Vapor pressure, Pa at 25 °C: 15	[3] ILO-WHO International Chemical Safety Cards (ICSCs)

Value	As written	Source
86 °C	187 °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.
85 °C	85 °C (185 °F) - closed cup	[5] Hazardous Substances Data Bank (HSDB)cites Sigma-Aldrich; Material Safety Data Sheet for p-Cresol, Product Number: C85751, Version 4.3 (Revision Date 06/27/2014). Available from, as of December 16, 2014: https://www.sigmaaldrich.com/safety-center.html
86 °Cshown	187 °F (86 °C) (Closed cup)	[5] Hazardous Substances Data Bank (HSDB)cites National Fire Protection Association; Fire Protection Guide to Hazardous Materials. 14TH Edition, Quincy, MA 2010, p. 49-48
86 °C	86 °C c.c.	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
86 °C	187 °F	[4] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
559 °C	1038 °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.
559 °Cshown	1038 °F (558 °C)	[5] Hazardous Substances Data Bank (HSDB)cites National Fire Protection Association; Fire Protection Guide to Hazardous Materials. 14TH Edition, Quincy, MA 2010, p. 49-48
555 °C	555 °C	[3] ILO-WHO International Chemical Safety Cards (ICSCs)

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): 0.14
H-bond donors: 1
H-bond acceptors: 1
Rotatable bonds: 0
TPSA (Å²): 20.2
Formal charge: 0
XLogP3: 1.9 PubChem
Complexity: 62 PubChem
Stereocenters: None
Double-bond geometry: None specified
Point group: C1 of one 3D conformer with its hydrogens, by Athanor’s engine (as in the app)

Elemental analysis

C77.75%
H7.46%
O14.79%

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: 1.7 Crippen (Wildman and Crippen 1999)
log S (water solubility): -2.14 ESOL (Delaney 2004), log mol/L
Synthetic accessibility: 1.26 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

Molecular weight ≤ 500: 108.14
log P ≤ 5 (Crippen): 1.7
H-bond donors ≤ 5: 1
H-bond acceptors ≤ 10: 1

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 [6].

Corrosive
Acute toxicity

NFPA 704[5]

H301Toxic if swallowed
H311Toxic in contact with skin
H314Causes severe skin burns and eye damage

Precautionary statements: P260, P262, P264, P270, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P361+P364, P363, P405, P501

View all classifications (3)

[6] Regulation (EC) No 1272/2008 of the European Parliament and of the Council · DangerH301, H311, H314
[7] European Chemicals Agency (ECHA) · 2,745 reports · DangerH301+H311, H301, H311, H314, H412
[5] Hazardous Substances Data Bank (HSDB) · DangerH301, H311, H314, H318, H401, H411

Exposure limits

PEL: TWA 5 ppm (22 mg/m3) [skin][4]
REL: TWA 2.3 ppm (10 mg/m3)[4]
TLV: 20 mg/m[3]
IDLH: 250 ppm (NIOSH, 2024)[1]
IDLH: 250 ppm[5]
IDLH: 250 ppm See: Cresol[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]
(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: Soap wash immediately - If this chemical contacts the skin, immediately wash the contaminated skin with soap and water.[4]
Fresh air, rest. Half-upright position. Artificial respiration may be needed. Refer immediately for medical attention.[3]
Remove contaminated clothes. Rinse skin with plenty of water or shower. Refer immediately for medical attention.[3]

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]
Keep container tightly closed in a dry and well-ventilated place. Hygroscopic. Air and light sensitive. Handle and store under inert gas.[5]
Avoid loading together with explosives, oxidizing materials and organic peroxides.[5]
Store in a cool, dry, well ventilated location. Separate from oxidizing materials.[5]

Incompatibilities

Strong oxidizers, acids.[5]
Incompatible materials: Oxidizing agents. Bases.[5]
Strong oxidizers, acids[4]

Safety data sheets on the supplier’s page: LGC Standards, RR Scientific, Aladdin Scientific.

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]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]The National Institute for Occupational Safety and Health (NIOSH) · Public domain (US CDC) · via PubChem · retrieved 2026-10-14
[5]Hazardous Substances Data Bank (HSDB) · Public domain (US NLM) · via PubChem · retrieved 2026-10-14
[6]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
[7]European Chemicals Agency (ECHA) · ECHA legal notice: reuse with acknowledgement · via PubChem · retrieved 2026-10-14
[8]NMRShiftDB · Linked only · via PubChem · retrieved 2026-10-14
[9]Human Metabolome Database (HMDB) · Linked only · via PubChem · retrieved 2026-10-14
[10]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
[11]MassBank of North America (MoNA) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
[12]NIST Mass Spectrometry Data Center · Linked only · via PubChem · retrieved 2026-10-14
[13]MassBank Europe · 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.