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Substance Name: Isobutyl acrylate
RN: 106-63-8
UNII: U02509V73F
InChIKey: CFVWNXQPGQOHRJ-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C7-H12-O2

Molecular Weight

  • 128.1698
 
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Names and Synonyms

Name of Substance

  • Isobutyl acrylate

Synonyms

  • 2-Methylpropyl acrylate
  • 2-Propenoic acid isobutyl ester
  • 2-Propenoic acid, 2-methylpropyl ester
  • 4-02-00-01465 (Beilstein Handbook Reference)
  • Acrylic acid, isobutyl ester
  • AI3-15696
  • BRN 1749388
  • CCRIS 4828
  • EC 203-417-8
  • EINECS 203-417-8
  • HSDB 610
  • Isobutyl 2-propenoate
  • Isobutyl acrylate
  • Isobutyl propenoate
  • Isobutylester kyseliny akrylove
  • Isobutylester kyseliny akrylove [Czech]
  • NSC 20949
  • Propenoic acid, isobutyl ester
  • UNII-U02509V73F

Systematic Names

  • 2-Propenoic acid, 2-methylpropyl ester
  • Acrylic acid, isobutyl ester
  • Isobutyl acrylate

Superlist Names

  • 2-Propenoic acid, 2-methylpropyl ester
  • Acrylic acid, isobutyl ester
  • Isobutyl acrylate
  • Isobutyl acrylate, inhibited
  • Isobutyl acrylate, inhibited [UN2527] [Flammable liquid]
  • UN2527

Registry Numbers

CAS Registry Number

  • 106-63-8

FDA UNII

  • U02509V73F

Other Registry Numbers

  • 1401517-00-7
  • 2056117-89-4

System Generated Number

  • 0000106638

Structure Descriptors

InChI

1S/C7H12O2/c1-4-7(8)9-5-6(2)3/h4,6H,1,5H2,2-3H3

InChIKey

CFVWNXQPGQOHRJ-UHFFFAOYSA-N

Smiles

C(=O)(OCC(C)C)C=C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 760mg/kg (760mg/kg)   Journal of Dental Research. Vol. 51, Pg. 526, 1972.
mouse LD50 oral 6106mg/kg (6106mg/kg)   Toxicology Letters. Vol. 11, Pg. 125, 1982.
rabbit LD50 skin 891uL/kg (0.891mL/kg) LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA

GASTROINTESTINAL: ULCERATION OR BLEEDING FROM STOMACH
National Technical Information Service. Vol. OTS0535072,
rat LC50 inhalation 2000ppm/4H (2000ppm) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
National Technical Information Service. Vol. OTS0535072,
rat LD50 intraperitoneal 654mg/kg (654mg/kg)   Archives des Maladies Professionnelles de Medecine du Travail et de Securite Sociale. Vol. 36, Pg. 58, 1975.
rat LD50 oral 7070uL/kg (7.07mL/kg)   Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -6.10E+01 deg C   EXP
Boiling Point 132 deg C   EXP
log P (octanol-water) 2.22 (none)   EXP
Water Solubility 1800 mg/L 25 EXP
Vapor Pressure 8.07 mm Hg 25 EXP
Henry's Law Constant 7.56E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.38E-11 cm3/molecule-sec 25 EST

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