Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Guaiacol [JAN:NF]
RN: 90-05-1
UNII: 6JKA7MAH9C
InChIKey: LHGVFZTZFXWLCP-UHFFFAOYSA-N

Note

  • An agent thought to have disinfectant properties and used as an expectorant. (From Martindale, The Extra Pharmacopoeia, 30th ed, p747)

Molecular Formula

  • C7-H8-O2

Molecular Weight

  • 124.1382
 

Classification Codes

  • Human Data
  • Mutation Data
  • Skin / Eye Irritant

Names and Synonyms

Name of Substance

  • Guaiacol
  • Guaiacol [JAN:NF]
  • o-Methoxyphenol

MeSH Heading

  • Guaiacol

Synonyms

  • 1-Hydroxy-2-methoxybenzene
  • 2-Hydroxyanisole
  • 2-Methoxyphenol
  • AI3-05615
  • Anastil
  • CCRIS 2943
  • EC 201-964-7
  • EINECS 201-964-7
  • FEMA No. 2532
  • Guaiacol
  • Guaiacol (natural)
  • Guaiastil
  • Guaicol
  • Guaicolina
  • Guajacol
  • Guajakol
  • Guajakol [Czech]
  • Guajol
  • Guasol
  • HSDB 4241
  • Methylcatechol
  • NSC 3815
  • o-Guaiacol
  • o-Hydroxyanisole
  • o-Methoxyphenol
  • O-Methyl catechol
  • Phenol, 2-methoxy-
  • Phenol, o-methoxy-
  • Propenylguaiacol
  • Pyrocatechol methyl ester
  • Pyrocatechol monomethyl ether
  • Pyroguaiac acid
  • UNII-6JKA7MAH9C

Systematic Names

  • Guaiacol
  • Phenol, 2-methoxy-
  • Phenol, o-methoxy-

Superlist Names

  • Guaiacol
  • Phenol, o-methoxy-

Registry Numbers

CAS Registry Number

  • 90-05-1

FDA UNII

  • 6JKA7MAH9C

System Generated Number

  • 0000090051

Structure Descriptors

InChI

1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3

InChIKey

LHGVFZTZFXWLCP-UHFFFAOYSA-N

Smiles

COc1ccccc1O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo oral 1500mg/kg (1500mg/kg)   Food and Chemical Toxicology. Vol. 20, Pg. 697, 1982.
guinea pig LDLo subcutaneous 900mg/kg (900mg/kg)   Food and Chemical Toxicology. Vol. 20, Pg. 697, 1982.
human LDLo oral 43mg/kg (43mg/kg) GASTROINTESTINAL: OTHER CHANGES

BEHAVIORAL: TREMOR
"Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 295, 1969.
mouse LC50 inhalation 7570mg/m3 (7570mg/m3)   Food and Chemical Toxicology. Vol. 20, Pg. 697, 1982.
mouse LD50 intravenous 170mg/kg (170mg/kg)   Food and Chemical Toxicology. Vol. 20, Pg. 697, 1982.
mouse LD50 oral 621mg/kg (621mg/kg)   Drugs of the Future. Vol. 5, Pg. 539, 1980.
pigeon LDLo subcutaneous 400mg/kg (400mg/kg)   Food and Chemical Toxicology. Vol. 20, Pg. 697, 1982.
rabbit LD50 skin 4600mg/kg (4600mg/kg)   Food and Chemical Toxicology. Vol. 20, Pg. 697, 1982.
rabbit LDLo intravenous 3700ug/kg (3.7mg/kg)   Journal of Agricultural and Food Chemistry. Vol. 17, Pg. 497, 1969.
rabbit LDLo oral 2gm/kg (2000mg/kg)   Food and Chemical Toxicology. Vol. 20, Pg. 697, 1982.
rabbit LDLo subcutaneous 1250mg/kg (1250mg/kg)   Food and Chemical Toxicology. Vol. 20, Pg. 697, 1982.
rat LD50 oral 520mg/kg (520mg/kg) BEHAVIORAL: GENERAL ANESTHETIC Folia Medica Cracoviensia. Vol. 32, Pg. 309, 1991.
rat LDLo subcutaneous 900mg/kg (900mg/kg)   Food and Chemical Toxicology. Vol. 20, Pg. 697, 1982.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 32 deg C   EXP
Boiling Point 205 deg C   EXP
pKa Dissociation Constant 9.98 (none)   EXP
log P (octanol-water) 1.32 (none)   EXP
Water Solubility 1.87E+04 mg/L 15 EXP
Vapor Pressure 0.103 mm Hg 25 EXP
Henry's Law Constant 1.20E-06 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 3.17E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.