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Substance Name: Dibutyl sebacate [NF]
RN: 109-43-3
UNII: 4W5IH7FLNY
InChIKey: PYGXAGIECVVIOZ-UHFFFAOYSA-N

Note

  • Used in retail packaging of foods.

Classification Codes

  • Pharmaceutic Aid (Plasticizer)
  • Reproductive Effect

Molecular Formula

  • C18-H34-O4

Molecular Weight

  • 314.463
 
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Names and Synonyms

Name of Substance

  • Decanedioic acid, dibutyl ester
  • Dibutyl decanedioate
  • Dibutyl sebacate
  • Dibutyl sebacate [NF]

Synonyms

  • 4-02-00-02081 (Beilstein Handbook Reference)
  • AI3-00393
  • Bis(n-butyl) sebacate
  • Bis(n-butyl)sebacate
  • BRN 1798308
  • Butyl sebacate
  • CCRIS 8264
  • Decanedioic acid, dibutyl ester
  • Di-n-butyl sebacate
  • Di-n-butylsebacate
  • Dibutyl 1,8-octanedicarboxylate
  • Dibutyl decanedioate
  • Dibutyl sebacate
  • Dibutyl sebacinate
  • Dibutylester kyseliny sebakove
  • Dibutylester kyseliny sebakove [Czech]
  • EC 203-672-5
  • EINECS 203-672-5
  • FEMA No. 2373
  • HSDB 309
  • Kodaflex DBS
  • Monoplex DBS
  • NSC 3893
  • Polycizer DBS
  • PX 404
  • Sebacic acid, dibutyl ester
  • Staflex DBS
  • UNII-4W5IH7FLNY

Systematic Names

  • Decanedioic acid, 1,10-dibutyl ester
  • Decanedioic acid, dibutyl ester
  • Dibutyl sebacate
  • Sebacic acid, dibutyl ester

Superlist Name

  • Dibutyl sebacate

Registry Numbers

CAS Registry Number

  • 109-43-3

FDA UNII

  • 4W5IH7FLNY

Other Registry Numbers

  • 39393-66-3
  • 98781-27-2

System Generated Number

  • 0000109433

Structure Descriptors

InChI

1S/C18H34O4/c1-3-5-15-21-17(19)13-11-9-7-8-10-12-14-18(20)22-16-6-4-2/h3-16H2,1-2H3

InChIKey

PYGXAGIECVVIOZ-UHFFFAOYSA-N

Smiles

C(C(OCCCC)=O)CCCCCCCC(OCCCC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LC inhalation > 5400ug/m3/2H (5.4mg/m3)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 55(6), Pg. 86, 1990.
mouse LD50 intraperitoneal 14700uL/kg (14.7mL/kg)   Journal of Biomedical Materials Research. Vol. 8, Pg. 11, 1974.
mouse LD50 oral 19500mg/kg (19500mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 55(6), Pg. 86, 1990.
rat LC inhalation > 5400ug/m3/4H (5.4mg/m3)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 55(6), Pg. 86, 1990.
rat LD50 oral 14870mg/kg (14870mg/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LIVER: LIVER FUNCTION TESTS IMPAIRED
"Spravochnik po Toksikologii i Gigienicheskim Normativam Vol. -, Pg. 69, 1999.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.00E+01 deg C   EXP
Boiling Point 344.5 deg C   EXP
log P (octanol-water) 6.300 (none)   EST
Water Solubility 40 mg/L 20 EXP
Vapor Pressure 4.69E-06 mm Hg 25 EXP
Henry's Law Constant 4.85E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.83E-11 cm3/molecule-sec 25 EST

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