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Substance Name: Dibutyl adipate
RN: 105-99-7
UNII: F4K100DXP3
InChIKey: XTJFFFGAUHQWII-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Experimental Pesticide
  • Insect Attractant, Repellent and Chemosterilant
  • Reproductive Effect

Molecular Formula

  • C14-H26-O4

Molecular Weight

  • 258.355
 
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Names and Synonyms

Name of Substance

  • Di-n-butyl adipate
  • Dibutyl adipate
  • Hexanedioic acid, dibutyl ester

Synonyms

  • 3 PS
  • 3PS
  • 4-02-00-01961 (Beilstein Handbook Reference)
  • AI3-00671
  • BRN 1790739
  • Butyl adipate
  • Cetiol B
  • Di-n-butyl adipate
  • Dibutyl adipate
  • Dibutyl hexanedioate
  • Dibutylester kyseliny adipove
  • Dibutylester kyseliny adipove [Czech]
  • EC 203-350-4
  • EINECS 203-350-4
  • Experimental tick repellent 3
  • Experimental tick repellent 3PS
  • NSC 8086
  • Polycizer W 260
  • UNII-F4K100DXP3
  • Unitolate B

Systematic Names

  • Adipic acid, dibutyl ester
  • Dibutyl adipate
  • Hexanedioic acid, 1,6-dibutyl ester
  • Hexanedioic acid, dibutyl ester

Superlist Name

  • Di-butyl adipate

Registry Numbers

CAS Registry Number

  • 105-99-7

FDA UNII

  • F4K100DXP3

System Generated Number

  • 0000105997

Structure Descriptors

InChI

1S/C14H26O4/c1-3-5-11-17-13(15)9-7-8-10-14(16)18-12-6-4-2/h3-12H2,1-2H3

InChIKey

XTJFFFGAUHQWII-UHFFFAOYSA-N

Smiles

C(CCCCC(OCCCC)=O)(OCCCC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LC inhalation > 17mg/m3/2H (17mg/m3)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 55(6), Pg. 86, 1990.
mouse LD50 oral 16890mg/kg (16890mg/kg) BLOOD: OTHER CHANGES Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 55(6), Pg. 86, 1990.
rabbit LD50 skin 20mL/kg (20mL/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951.
rat LC inhalation > 17mg/m3/4H (17mg/m3)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 55(6), Pg. 86, 1990.
rat LD50 intraperitoneal 5244uL/kg (5.244mL/kg)   Journal of Pharmaceutical Sciences. Vol. 62, Pg. 1596, 1973.
rat LD50 oral 12900mg/kg (12900mg/kg)   "Pesticide Index," Frear, E.H., ed., State College, PA, College Science Pub., 1969Vol. 5, Pg. 72, 1976.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -3.24E+01 deg C   EXP
log P (octanol-water) 4.330 (none)   EST
Atmospheric OH Rate Constant 1.27E-11 cm3/molecule-sec 25 EST

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