Phenol

Molecular structure via molpic based on CDK

Conformer []

Conformer structure via JSmol

Physical properties []
Molecular mass	94.11 g/mol ^[1]
Density	1.04 at 105.8 °F (USCG, 1999) - Denser than water; will sink g/cm³ ^[1]
Appearance	Colorless acicular crystals or white, crystalline mass ^[1]
Odor	Distinct aromatic, somewhat sickening sweet and acrid odor, discernable at 0.5 to 5 ppm ^[1]
Taste	Sharp, burning taste ^[1]
Melting point	109 ° ^[1]
Boiling point	360 ° ^[1]
Decomposition	When heated to decomposition it emits acrid smoke and irritating fumes. ^[1]
Solubility	50 to 100 mg/mL at 66 °F (NTP, 1992) ^[1]
Predicted LogP	1.5 ^[1]

Structural Identifiers []
Molecular formula	C₆H₆O ^[1]
IUPAC name	phenol ^[1]
SMILES	C1=CC=C(C=C1)O ^[1]
InChI	InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H ^[1]
InChIKey	ISWSIDIOOBJBQZ-UHFFFAOYSA-N ^[1]

Toxicity []
LD_Lo	Human: - oral: 14 gm/kg - oral: 140 mg/kg Dog: - oral: 500 mg/kg Cat: - oral: 80 mg/kg - subcutaneous: 80 mg/kg Rabbit: - oral: 420 mg/kg - intraperitoneal: 620 mg/kg - subcutaneous: 620 mg/kg - intravenous: 180 mg/kg Guinea pig: - intraperitoneal: 300 mg/kg - subcutaneous: 450 mg/kg Frog: - subcutaneous: 75 mg/kg - parenteral: 290 mg/kg - subcutaneous: 290 mg/kg Human - infant: - oral: 10 mg/kg
LD₅₀	Rat: - oral: 317 mg/kg - skin: 669 mg/kg - subcutaneous: 460 mg/kg - intraperitoneal: 127 mg/kg Mouse: - oral: 270 mg/kg - intraperitoneal: 180 mg/kg - subcutaneous: 344 mg/kg - intravenous: 112 mg/kg Rabbit: - skin: 630 mg/kg Mammal (species unspecified): - oral: 500 mg/kg

Toxicity

[]

LD_Lo

Human:
- oral: 14 gm/kg
- oral: 140 mg/kg
Dog:
- oral: 500 mg/kg
Cat:
- oral: 80 mg/kg
- subcutaneous: 80 mg/kg
Rabbit:
- oral: 420 mg/kg
- intraperitoneal: 620 mg/kg
- subcutaneous: 620 mg/kg
- intravenous: 180 mg/kg
Guinea pig:
- intraperitoneal: 300 mg/kg
- subcutaneous: 450 mg/kg
Frog:
- subcutaneous: 75 mg/kg
- parenteral: 290 mg/kg
- subcutaneous: 290 mg/kg
Human - infant:
- oral: 10 mg/kg

LD₅₀

Rat:
- oral: 317 mg/kg
- skin: 669 mg/kg
- subcutaneous: 460 mg/kg
- intraperitoneal: 127 mg/kg
Mouse:
- oral: 270 mg/kg
- intraperitoneal: 180 mg/kg
- subcutaneous: 344 mg/kg
- intravenous: 112 mg/kg
Rabbit:
- skin: 630 mg/kg
Mammal (species unspecified):
- oral: 500 mg/kg

Phenol

Phenol (also known as carbolic acid, Hydroxybenzene, Phenic acid, Oxybenzene, Phenylic acid, Phenylic alcohol, Benzenol, Monophenol, Phenyl hydrate or Phenyl hydroxide)

Chemistry

Stereochemistry []

Phenol is a achiral mixture

Anodyne Usernotes []
0xea / Phenol via	Accidental exposure through contamination; suicide preparation

External links []

References []

National Center for Biotechnology Information. PubChem Compound Summary for CID 996, Phenol. Accessed August 6, 2025. https://pubchem.ncbi.nlm.nih.gov/compound/996
U.S. Food and Drug Administration; National Center for Advancing Translational Sciences. Phenol. UNII: 339NCG44TV. Global Substance Registration System. Accessed August 6, 2025. https://gsrs.ncats.nih.gov/ginas/app/beta/substances/339NCG44TV

Phenol

Chemistry

Stereochemistry []

See also []

External links []

References []