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Substance Name: Hexylresorcinol [USP:INN:BAN]
RN: 136-77-6
UNII: R9QTB5E82N
InChIKey: WFJIVOKAWHGMBH-UHFFFAOYSA-N

Note

  • A substituted dihydroxybenzene used topically as an antiseptic for the treatment of minor skin infections.

Molecular Formula

  • C12-H18-O2

Molecular Weight

  • 194.2722
 

Classification Codes

  • Anthelmintic
  • Anthelmintics
  • Anti-Infective Agents
  • Antiparasitic Agents
  • Drug / Therapeutic Agent
  • Mutation Data
  • Reproductive Effect
  • Skin / Eye Irritant
  • Tumor Data
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Names and Synonyms

Name of Substance

  • 4-Hexylresorcinol
  • Hexylresorcinol
  • Hexylresorcinol [USP:INN:BAN]

MeSH Heading

  • Hexylresorcinol

Synonyms

  • 1,3-Dihydroxy-4-hexylbenzene
  • 1,3-Dihydroxy-4-n-hexylbenzene
  • 4-(1-Hexyl)resorcinol
  • 4-06-00-06048 (Beilstein Handbook Reference)
  • 4-Hexyl-1,3-benzenediol
  • 4-Hexyl-1,3-dihydroxybenzene
  • 4-Hexylresorcine
  • 4-Hexylresorcinol
  • 4-n-Hexylresorcinol
  • Adrover
  • AI3-08055
  • Antascarin
  • Ascaricid
  • Ascarinol
  • Ascaryl
  • BRN 2048312
  • Caprokol
  • CCRIS 888
  • Crystoids
  • Cystoids anthelmintic
  • EINECS 205-257-4
  • Gelovermin
  • Hexylresorcin
  • Hexylresorcin [German]
  • Hexylresorcinol
  • Hexylresorcinolum
  • Hexylresorzin
  • Hidesol
  • HSDB 566
  • Kopnol
  • NCI-C55787
  • NSC 1570
  • Oxana
  • p-Hexylresorcinol
  • Prensol
  • S.T. 37
  • ST 37
  • ST-37
  • Sucrets
  • UNII-R9QTB5E82N
  • Worm-agen

Systematic Names

  • 1,3-Benzenediol, 4-hexyl-
  • 4-Hexylresorcinol
  • Resorcinol, 4-hexyl-

Superlist Name

  • 4-Hexylresorcinol

Registry Numbers

CAS Registry Number

  • 136-77-6

FDA UNII

  • R9QTB5E82N

System Generated Number

  • 0000136776

Structure Descriptors

InChI

1S/C12H18O2/c1-2-3-4-5-6-10-7-8-11(13)9-12(10)14/h7-9,13-14H,2-6H2,1H3

InChIKey

WFJIVOKAWHGMBH-UHFFFAOYSA-N

Smiles

c1(c(cc(O)cc1)O)CCCCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LDLo oral 400mg/kg (400mg/kg)   Proceedings of the Society for Experimental Biology and Medicine. Vol. 28, Pg. 609, 1931.
mouse LD50 intraperitoneal 335mg/kg (335mg/kg)   Japanese Kokai Tokyo Koho Patents. Vol. #90-292213,
mouse LD50 oral 1040mg/kg (1040mg/kg)   Pharmazie. Vol. 30, Pg. 147, 1975.
mouse LDLo subcutaneous 750mg/kg (750mg/kg)   "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 5, Pg. 148, 1959.
mouse LDLo unreported 100mg/kg (100mg/kg)   Annals of Tropical Medicine and Parasitology. Vol. 32, Pg. 177, 1938.
rat LD50 oral 550mg/kg (550mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 53, Pg. 198, 1935.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 68 deg C   EXP
Boiling Point 334 deg C   EXP
log P (octanol-water) 3.45 (none)   EXP
Water Solubility 500 mg/L 18 EXP
Vapor Pressure 8.45E-06 mm Hg 25 EST
Henry's Law Constant 2.65E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.07E-10 cm3/molecule-sec 25 EST

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