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Substance Name: Thiodiglycol [INN]
RN: 111-48-8
UNII: 9BW5T43J04
InChIKey: YODZTKMDCQEPHD-UHFFFAOYSA-N

Note

  • Product of yperite hydrolysis; a hydrolysis product opf mustard gas; strongly stimulates differentiation of chick embryo myogenic cells.

Molecular Formula

  • C4-H10-O2-S

Molecular Weight

  • 122.187
 

Classification Codes

  • Enzyme Inhibitors
  • Skin / Eye Irritant
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Names and Synonyms

Name of Substance

  • 2,2'-Thiobisethanol
  • 2,2'-Thiodiethanol
  • Ethanol, 2,2'-thiobis-
  • Thiodiethylene glycol
  • Thiodiglycol
  • Thiodiglycol [INN]

Synonyms

  • 2,2'-Sulfobisethanol
  • 2,2'-Thiobisethanol
  • 2,2'-Thiodiethanol
  • 2,2'-Thiodiglycol
  • 4-01-00-02437 (Beilstein Handbook Reference)
  • AI3-05541
  • beta,beta'-Dihydroxydiethyl sulfide
  • beta,beta'-Dihydroxyethyl sulfide
  • beta-Hydroxyethyl sulfide
  • Bis(2-hydroxyethyl) sulfide
  • Bis(2-hydroxyethyl) thioether
  • Bis(2-hydroxyethyl)sulfide
  • Bis(beta-hydroxyethyl) sulfide
  • Bis(beta-hydroxyethyl)sulfide
  • Bis(hydroxyethyl)sulfide
  • BRN 1236325
  • Di(2-hydroxyethyl) sulfide
  • EC 203-874-3
  • EINECS 203-874-3
  • Glyecine A
  • HSDB 7482
  • Kromfax solvent
  • NSC 6289
  • Sulfide, bis(2-hydroxyethyl)
  • Tedegyl
  • Thiodiethanol
  • Thiodiethylene glycol
  • Thiodiglycol
  • Thiodiglycolum
  • Thiodiglycolum [INN-Latin]
  • Tiodiglicol
  • Tiodiglicol [INN-Spanish]
  • Tiodiglicolo
  • Tiodiglicolo [DCIT]
  • UNII-9BW5T43J04

Systematic Names

  • 2,2'-Thiodiethanol
  • Ethanol, 2,2'-thiobis-
  • Ethanol, 2,2'-thiodi-
  • Thiodiglycol

Superlist Names

  • Ethanol, 2,2'-thiobis-
  • Ethanol, 2,2'-thiodi-
  • Thiodiglycol

Registry Numbers

CAS Registry Number

  • 111-48-8

FDA UNII

  • 9BW5T43J04

System Generated Number

  • 0000111488

Structure Descriptors

InChI

1S/C4H10O2S/c5-1-3-7-4-2-6/h5-6H,1-4H2

InChIKey

YODZTKMDCQEPHD-UHFFFAOYSA-N

Smiles

S(CCO)CCO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 3960mg/kg (3960mg/kg) KIDNEY, URETER, AND BLADDER: OTHER CHANGES

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

GASTROINTESTINAL: OTHER CHANGES
Journal of Industrial Hygiene and Toxicology. Vol. 23, Pg. 259, 1941.
mouse LD50 subcutaneous 4gm/kg (4000mg/kg) LIVER: "HEPATITIS (HEPATOCELLULAR NECROSIS), DIFFUSE"

GASTROINTESTINAL: OTHER CHANGES

ENDOCRINE: OTHER CHANGES
Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 1, 1948.
rabbit LD50 intravenous 3gm/kg (3000mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 1, 1948.
rabbit LD50 skin 20mL/kg (20mL/kg)   Union Carbide Data Sheet. Vol. 11/3/1971,
rat LD50 oral 6610mg/kg (6610mg/kg)   Journal of Industrial Hygiene and Toxicology. Vol. 23, Pg. 259, 1941.
rat LD50 subcutaneous 4gm/kg (4000mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 1, 1948.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.02E+01 deg C   EXP
Boiling Point 282 deg C   EXP
log P (octanol-water) -0.63 (none)   EXP
Water Solubility 1.00E+06 mg/L 20 EXP
Vapor Pressure 0.00323 mm Hg 25 EXP
Henry's Law Constant 1.85E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.79E-11 cm3/molecule-sec 25 EST

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