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Substance Name: 1,4-Dioxane
RN: 123-91-1
UNII: J8A3S10O7S
InChIKey: RYHBNJHYFVUHQT-UHFFFAOYSA-N

Note

  • Dehydrating agent; polar solvent miscible both with water & most organic solvents.

Molecular Formula

  • C4-H8-O2

Molecular Weight

  • 88.1052
 

Classification Codes

Classification Codes

  • Human Data
  • Mutation Data
  • Reproductive Effect
  • Skin / Eye Irritant
  • Tumor Data

Superlist Classification Codes

  • 2007 CERCLA Priority List, Rank: 210
  • 2011 CERCLA Priority List, Rank: 210
  • Overall Carcinogenic Evaluation: Group 2B
  • Reasonably Anticipated to be a Carcinogen
  • Reportable Quantity (RQ) = 100 lb
  • TWA (20 ppm); skin; Confirmed animal carcinogen with unknown relevance to humans
  • TWA 100 ppm (360 mg/m3); skin

Names and Synonyms

Name of Substance

  • 1,4-Dioxane
  • Dioxane

Synonyms

  • 1,4-Diethylene dioxide
  • 1,4-Dioxacyclohexane
  • 1,4-Dioxanne
  • 1,4-Dioxanne [French]
  • 5-19-01-00016 (Beilstein Handbook Reference)
  • AI3-01055
  • BRN 0102551
  • CCRIS 269
  • Di(ethylene oxide)
  • Diethylene dioxide
  • Diethylene ether
  • Dioksan
  • Dioksan [Polish]
  • Diossano-1,4
  • Diossano-1,4 [Italian]
  • Dioxaan-1,4
  • Dioxaan-1,4 [Dutch]
  • Dioxan
  • Dioxan-1,4
  • Dioxan-1,4 [German]
  • Dioxane
  • Dioxane, technical grade
  • Dioxane-1,4
  • Dioxanne
  • Dioxanne [French]
  • Dioxyethylene ether
  • EC 204-661-8
  • EINECS 204-661-8
  • Glycol ethylene ether
  • Glycolethylenether
  • HSDB 81
  • NCI-C03689
  • NE 220
  • NSC 8728
  • p-Dioxan
  • p-Dioxan [Czech]
  • p-Dioxin, tetrahydro-
  • para-Dioxane
  • RCRA waste number U108
  • Tetrahydro-1,4-dioxin
  • Tetrahydro-p-dioxin
  • Tetrahydro-para-dioxin
  • UNII-J8A3S10O7S

Systematic Names

  • 1,4-Dioxane
  • p-Dioxane

Superlist Names

  • 1,4-Diethylenedioxide
  • 1,4-Dioxane
  • Diethylene dioxide
  • Dioxane
  • Dioxane [UN1165] [Flammable liquid]
  • p-Dioxane
  • RCRA waste no. U108
  • UN 1165
  • UN1165

Registry Numbers

CAS Registry Number

  • 123-91-1

FDA UNII

  • J8A3S10O7S

Other Registry Numbers

  • 28347-88-8
  • 28347-91-3
  • 39449-24-6
  • 54841-74-6

System Generated Number

  • 0000123911

Structure Descriptors

InChI

1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2

InChIKey

RYHBNJHYFVUHQT-UHFFFAOYSA-N

Smiles

C1COCCO1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LCLo inhalation 44gm/m3/7H (44000mg/m3) BEHAVIORAL: EXCITEMENT

LUNGS, THORAX, OR RESPIRATION: DYSPNEA		 "Beitrag zur Toxikologischen Wirkung Technischer Losungsmittel, Dissertation," Klimmer, O., Pharmakologischen Institut der Universitat Wurzburg, Fed. Rep. Ger., 1937Vol. -, Pg. -, 1937.
cat LD50 oral 2gm/kg (2000mg/kg)   Journal of Industrial Hygiene and Toxicology. Vol. 21, Pg. 173, 1939.
cat LDLo intravenous 1500mg/kg (1500mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: IRRITABILITY		 Journal of Hygiene. Vol. 35, Pg. 540, 1935.
guinea pig LD50 oral 3150mg/kg (3150mg/kg) GASTROINTESTINAL: OTHER CHANGES

BEHAVIORAL: GENERAL ANESTHETIC

KIDNEY, URETER, AND BLADDER: OTHER CHANGES 		Journal of Industrial Hygiene and Toxicology. Vol. 23, Pg. 259, 1941.
human LCLo inhalation 470ppm/3D (470ppm) BRAIN AND COVERINGS: OTHER DEGENERATIVE CHANGES

LIVER: OTHER CHANGES

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES		 Pollution Engineering. Vol. 7(9), Pg. 22, 1975.
human TCLo inhalation 470ppm (470ppm) VASCULAR: BP ELEVATION NOT CHARACTERIZED IN AUTONOMIC SECTION

GASTROINTESTINAL: OTHER CHANGES

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD		 AMA Archives of Industrial Health. Vol. 20, Pg. 445, 1959.
human TCLo inhalation 5500ppm/1M (5500ppm) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

SENSE ORGANS AND SPECIAL SENSES: CONJUNCTIVE IRRITATION: EYE

SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE		 Public Health Reports. Vol. 45, Pg. 2023, 1930.
mammal (species unspecified) LC50 inhalation 20500mg/m3 (20500mg/m3)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(5), Pg. 61, 1986.
mouse LC50 inhalation 37gm/m3/2H (37000mg/m3)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 63, 1982.
mouse LD50 intraperitoneal 790mg/kg (790mg/kg) KIDNEY, URETER, AND BLADDER: "CHANGES IN TUBULES (INCLUDING ACUTE RENAL FAILURE, ACUTE TUBULAR NECROSIS)"

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES		 Federation Proceedings, Federation of American Societies for Experimental Biology. Vol. 6, Pg. 342, 1947.
mouse LD50 oral 5300mg/kg (5300mg/kg)   Indian Journal of Experimental Biology. Vol. 16, Pg. 54, 1978.
rabbit LD50 oral 2gm/kg (2000mg/kg)   Journal of Industrial Hygiene and Toxicology. Vol. 21, Pg. 173, 1939.
rabbit LD50 skin 7600uL/kg (7.6mL/kg)   Union Carbide Data Sheet. Vol. 12/17/1971,
rabbit LDLo intravenous 1500mg/kg (1500mg/kg) KIDNEY, URETER, AND BLADDER: URINE VOLUME INCREASED

KIDNEY, URETER, AND BLADDER: URINE VOLUME DECREASED		 Journal of Hygiene. Vol. 35, Pg. 540, 1935.
rat LC50 inhalation 46gm/m3/2H (46000mg/m3) SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE Kosmicheskaya Biologiya I Aviakosmicheskaya Meditsina. Space Biology and Aerospace Medicine. Vol. 11(6), Pg. 53, 1977.
rat LD50 intraperitoneal 799mg/kg (799mg/kg)   Environmental Research. Vol. 40, Pg. 411, 1986.
rat LD50 oral 4200mg/kg (4200mg/kg)   Industrial Health. Vol. 32, Pg. 145, 1994.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 11.8 deg C   EXP
Boiling Point 101.5 deg C   EXP
pKa Dissociation Constant -2.92E+00 (none)   EXP
log P (octanol-water) -0.27 (none)   EXP
Water Solubility 1.00E+06 mg/L 20 EXP
Vapor Pressure 38.1 mm Hg 25 EXP
Henry's Law Constant 4.80E-06 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 1.09E-11 cm3/molecule-sec 25 EXP

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