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Substance Name: Dibutyl maleate
RN: 105-76-0
UNII: 4X371TMK9K
InChIKey: JBSLOWBPDRZSMB-FPLPWBNLSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C12-H20-O4

Molecular Weight

  • 228.286
 
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Names and Synonyms

Name of Substance

  • Dibutyl maleate

Synonyms

  • 2-Butenedioic acid, dibutyl ester
  • 4-02-00-02209 (Beilstein Handbook Reference)
  • AI3-00644
  • BRN 1726634
  • Butyl maleate
  • CCRIS 4136
  • DBM (VAN)
  • Dibutyl maleate
  • Dibutylester kyseliny maleinove
  • Dibutylester kyseliny maleinove [Czech]
  • EC 203-328-4
  • EINECS 203-328-4
  • NSC 6711
  • PX-504
  • RC Comonomer DBM
  • RTECS OU6356000
  • Staflex DBM
  • UNII-4X371TMK9K

Systematic Names

  • 2-Butenedioic acid (2Z)-, 1,4-dibutyl ester
  • 2-Butenedioic acid (2Z)-, dibutyl ester
  • 2-Butenedioic acid (Z)-, dibutyl ester
  • 2-Butenedioic acid, dibutyl ester, (Z)-
  • Dibutyl maleate
  • Dibutylmaleate
  • Maleic acid, dibutyl ester

Superlist Name

  • Maleic acid, dibutyl ester

Registry Numbers

CAS Registry Number

  • 105-76-0

FDA UNII

  • 4X371TMK9K

Other Registry Numbers

  • 193362-56-0
  • 220713-30-4
  • 57343-98-3
  • 77223-90-6
  • 79725-21-6

System Generated Number

  • 0000105760

Structure Descriptors

InChI

1S/C12H20O4/c1-3-5-9-15-11(13)7-8-12(14)16-10-6-4-2/h7-8H,3-6,9-10H2,1-2H3/b8-7-

InChIKey

JBSLOWBPDRZSMB-FPLPWBNLSA-N

Smiles

C(=O)(/C=C\C(=O)OCCCC)OCCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 150mg/kg (150mg/kg)   National Technical Information Service. Vol. AD691-490,
rabbit LD50 skin 10gm/kg (10000mg/kg)   Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 2, Pg. 19, 1975.
rat LD50 oral 3700mg/kg (3700mg/kg)   Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 2, Pg. 19, 1975.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -8.50E+01 deg C   EXP
Boiling Point 281 deg C   EXP
log P (octanol-water) 4.160 (none)   EST
Water Solubility 500 mg/L 25 EXP
Vapor Pressure 6.23E-04 mm Hg 25 EXP
Henry's Law Constant 3.74E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.60E-11 cm3/molecule-sec 25 EST

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