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Substance Name: 2-Butyl-2-ethyl-1,3-propanediol
RN: 115-84-4
UNII: 61P3KJ8K4Y
InChIKey: DSKYSDCYIODJPC-UHFFFAOYSA-N

Note

  • Used for protection against mosquitoes and biting flies.

Molecular Formula

  • C9-H20-O2

Molecular Weight

  • 160.255
 
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Names and Synonyms

Name of Substance

  • 2-Butyl-2-ethyl-1,3-propanediol

Synonyms

  • 2-Butyl-2-ethyl-1,3-propanediol
  • 2-Ethyl-2-butyl-1,3-propandeiol
  • 2-Ethyl-2-butyl-1,3-propanediol
  • 3,3-Bis(hydroxymethyl)heptane
  • 4-01-00-02611 (Beilstein Handbook Reference)
  • AI3-03775
  • BEP
  • BRN 1737392
  • Caswell No. 129
  • EC 204-111-7
  • EINECS 204-111-7
  • EPA Pesticide Chemical Code 041003
  • NSC 406603
  • UNII-61P3KJ8K4Y

Systematic Names

  • 1,3-Propanediol, 2-butyl-2-ethyl-
  • 2-Butyl-2-ethylpropanediol

Superlist Names

  • 1,3-Propanediol, 2-butyl-2-ethyl-
  • 2-Ethyl-2-butyl-1,3-propanediol

Registry Numbers

CAS Registry Number

  • 115-84-4

FDA UNII

  • 61P3KJ8K4Y

Other Registry Number

  • 29855-01-4

System Generated Number

  • 0000115844

Structure Descriptors

InChI

1S/C9H20O2/c1-3-5-6-9(4-2,7-10)8-11/h10-11H,3-8H2,1-2H3

InChIKey

DSKYSDCYIODJPC-UHFFFAOYSA-N

Smiles

C(CCCC)(CC)(CO)CO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 3810mg/kg (3810mg/kg)   "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 731, 1969.
rat LD50 oral 5040mg/kg (5040mg/kg)   "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 731, 1969.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 43.8 deg C   EXP
Boiling Point 262 deg C   EXP
log P (octanol-water) 2.130 (none)   EST
Atmospheric OH Rate Constant 1.38E-11 cm3/molecule-sec 25 EST

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