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Substance Name: 1,3-Propane sultone
RN: 1120-71-4
UNII: L6NTK7VJX9
InChIKey: FSSPGSAQUIYDCN-UHFFFAOYSA-N

Note

  • Sultone is usually defined as a derivative of 1,8-naphtholsulfonic acid.

Molecular Formula

  • C3-H6-O3-S

Molecular Weight

  • 122.1434
 

Classification Codes

Classification Codes

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

Superlist Classification Codes

  • Overall Carcinogenic Evaluation: Group 2B
  • Reasonably Anticipated to be a Carcinogen
  • Reportable Quantity (RQ) = 10 lb
  • TWA: exposure by all routes should be carefully controlled to levels as low as possible; Confirmed animal carcinogen with unknown relevance to humans

Names and Synonyms

Name of Substance

  • 1,3-Propane sultone

Synonyms

  • 1,2-Oxathiolane, 2,2-dioxide
  • 1,2-Oxathrolane 2,2-dioxide
  • 1,3-Propane sultone
  • 1,3-Propanesultone
  • 1-Propanesulfonic acid, 3-hydroxy-, gamma-sultone
  • 3-Hydroxy-1-propanesulfonic acid gamma-sultone
  • 3-Hydroxy-1-propanesulphonic acid sultone
  • 3-Hydroxythietane-1,1-Dioxide
  • 5-19-01-00005 (Beilstein Handbook Reference)
  • AI3-26990
  • BRN 0109782
  • CCRIS 535
  • EC 214-317-9
  • EINECS 214-317-9
  • HSDB 1673
  • NSC 42386
  • Propane sultone
  • Propanesultone
  • RCRA waste number U193
  • UNII-L6NTK7VJX9

Systematic Names

  • 1,2-Oxathiolane, 2,2-dioxide
  • 1,3-Propane sultone
  • 1,3-Propanesultone

Superlist Names

  • 1,2-Oxathiolane, 2,2-dioxide
  • 1,3-Propane sultone
  • Propane sultone
  • RCRA waste no. U193

Registry Numbers

CAS Registry Number

  • 1120-71-4

FDA UNII

  • L6NTK7VJX9

System Generated Number

  • 0001120714

Structure Descriptors

InChI

1S/C3H6O3S/c4-7(5)3-1-2-6-7/h1-3H2

InChIKey

FSSPGSAQUIYDCN-UHFFFAOYSA-N

Smiles

S1(CCCO1)(=O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 100mg/kg (100mg/kg) SKIN AND APPENDAGES (SKIN): HAIR: OTHER

SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
National Technical Information Service. Vol. OTS0555330,
mouse LD50 oral 400mg/kg (400mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

SKIN AND APPENDAGES (SKIN): HAIR: OTHER

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
National Technical Information Service. Vol. OTS0555330,
mouse LDLo skin 1000gm/kg (1000000mg/kg)   Toxicology. Vol. 6, Pg. 139, 1976.
rat LCLo inhalation 2140mg/m3/6H (2140mg/m3) SKIN AND APPENDAGES (SKIN): HAIR: OTHER

SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

VASCULAR: REGIONAL OR GENERAL ARTERIOLAR OR VENOUS DILATION
National Technical Information Service. Vol. OTS0555330,
rat LD50 intraperitoneal 100mg/kg (100mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"
National Technical Information Service. Vol. OTS0555330,
rat LD50 oral 100mg/kg (100mg/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
National Technical Information Service. Vol. OTS0555330,
rat LD50 subcutaneous 135mg/kg (135mg/kg)   Zeitschrift fuer Krebsforschung. Vol. 75, Pg. 69, 1970.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 31.5 deg C   EXP
log P (octanol-water) -0.280 (none)   EST
Water Solubility 1.71E+05 mg/L 25 EST
Vapor Pressure 0.270 mm Hg 25 EST
Henry's Law Constant 2.36E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.15E-12 cm3/molecule-sec 25 EST

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