Product Name

  • Name

    Isobutyl butyrate

  • EINECS 208-729-8
  • CAS No. 539-90-2
  • Article Data15
  • CAS DataBase
  • Density 0.876 g/cm3
  • Solubility
  • Melting Point -88.07°C (estimate)
  • Formula C8H16O2
  • Boiling Point 156.3 °C at 760 mmHg
  • Molecular Weight 144.214
  • Flash Point 45.6 °C
  • Transport Information UN 3272 3/PG 3
  • Appearance Colorless liquid
  • Safety 16-27-36/37/39-61-60
  • Risk Codes 10-50/53
  • Molecular Structure Molecular Structure of 539-90-2 (Isobutyl butyrate)
  • Hazard Symbols DangerousN
  • Synonyms Butyricacid, isobutyl ester (6CI,7CI,8CI);2-Methylpropyl butanoate;2-Methylpropylbutyrate;Isobutyl butanoate;Isobutyl n-butyrate;NSC406938;
  • PSA 26.30000
  • LogP 1.98570

Isobutyl butyrate Chemical Properties

The molecular formula of Isobutyl butyrate(539-90-2) is C8H16O2 and its formula weight is 144.21.
The density of Isobutyl butyrate(539-90-2)  is 0.861 g/mL at 25 °C(lit.) and it has a  boiling point of 157-158 °C(lit.). The refractive index is about  1.403(lit.). Its flash point is  114 °F.
The chemical synonyms of Isobutyl butyrate(539-90-2) are N-BUTYRIC ACID ISOBUTYL ESTER;2-methyl-1-butylbutanoate;Butanoic acid, methyl propyl ester;Butanoicacid,2-methylpropylester;butanoicacid2-methylpropylester;Butyric acid, isobutyl ester;butyricacid,isobutylester;butyricacidisobutylester
The molecular structure of Isobutyl butyrate(539-90-2):

Isobutyl butyrate Toxicity Data With Reference

1.   

skn-rbt 500 mg/24H MLD

   FCTXAV    Food and Cosmetics Toxicology. 17 (1979),833.
2.   

orl-rbt LD50:9520 mg/kg

   IMSUAI    Industrial Medicine and Surgery. 41 (1972),31.
3.   

idu-rbt LD50:9500 mg/kg

   FCTXAV    Food and Cosmetics Toxicology. 17 (Suppl),(1979),695.

Isobutyl butyrate Consensus Reports

Reported in EPA TSCA Inventory.

Isobutyl butyrate Safety Profile

Mildly toxic by ingestion and intraduodenal routes. A skin irritant. See also ESTERS. When heated to decomposition it emits acrid smoke and irritating fumes.
Hazard Codes  N
Risk Statements  10-50/53
Safety Statements  16-27-36/37/39-61-60
RIDADR  UN 3272 3/PG 3
WGK Germany  2
RTECS  ET5020000
HazardClass  3.2
PackingGroup  III
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