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Substance Name: Decamethylene glycol
RN: 112-47-0
UNII: 5I577UDK52
InChIKey: FOTKYAAJKYLFFN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H22-O2

Molecular Weight

  • 174.282
 
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Names and Synonyms

Name of Substance

  • 1,10-Decanediol
  • Decamethylene glycol

Synonyms

  • 1,10-Decamethylene diol
  • 1,10-Decamethylenediol
  • 1,10-Dihydroxydecane
  • 1,6-Bis(2-hydroxyethyl)hexane
  • 4-01-00-02613 (Beilstein Handbook Reference)
  • AI3-09208
  • alpha,omega-Decanediol
  • BRN 1698975
  • Decamethylene glycol
  • Decamethylenediol
  • Decane-1,10-diol
  • EINECS 203-975-2
  • NSC 17165
  • UNII-5I577UDK52

Systematic Name

  • 1,10-Decanediol

Registry Numbers

CAS Registry Number

  • 112-47-0

FDA UNII

  • 5I577UDK52

System Generated Number

  • 0000112470

Structure Descriptors

InChI

1S/C10H22O2/c11-9-7-5-3-1-2-4-6-8-10-12/h11-12H,1-10H2

InChIKey

FOTKYAAJKYLFFN-UHFFFAOYSA-N

Smiles

OCCCCCCCCCCO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 500mg/kg (500mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 6, Pg. 219, 1954.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 74 deg C   EXP
log P (octanol-water) 2.730 (none)   EST
Water Solubility 1400 mg/L 40 EXP
Atmospheric OH Rate Constant 1.96E-11 cm3/molecule-sec 25 EST

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