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589-59-3

Basic Information
CAS No.: 589-59-3
Name: Isobutyl isovalerate
Article Data: 6
Molecular Structure:
Molecular Structure of 589-59-3 (Isobutyl isovalerate)
Formula: C9H18O2
Molecular Weight: 158.241
Synonyms: Isovalericacid, isobutyl ester (6CI,7CI,8CI);2-Methylpropyl 3-methylbutanoate;2-Methylpropyl 3-methylbutyrate;2-Methylpropyl isovalerate;Isobutyl3-methylbutanoate;Isobutyl 3-methylbutyrate;Isobutyl isopentanoate;NSC 6993;
EINECS: 209-653-8
Density: 0.873 g/cm3
Melting Point: -92.8°C (estimate)
Boiling Point: 170.999 °C at 760 mmHg
Flash Point: 50.512 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26
PSA: 26.30000
LogP: 2.23170
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  • Isobutyl isovalerate 589-59-3

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    589-59-3

    Isobutyl isovalerate 589-59-3

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  • Casno:

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    Isobutyl isovalerate

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  • Isobutyl isovalerate

  • Casno:

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Chemistry

Product Name: Isobutyl isovalerate
The MF of Isobutyl isovalerate (589-59-3) is C9H18O2.
                          
The MW of Isobutyl isovalerate (589-59-3) is 158.24.
Synonyms: 2-METHYL PROPYL-3-METHYL BUTYRATE ; METHYL PROPYL-3-METHYL BUTYRATE ; ISOBUTYL 3-METHYLBUTANOATE ; ISOBUTYL ISOPENTANOATE ; ISOBUTYL ISOVALERATE ; ISOVALERIC ACID ISOBUTYL ESTER ; FEMA 3369 ; 2-Methylpropyl 3-methylbutanoate
Product Categories: C8 to C9;Carbonyl Compounds;Esters
EINECS: 209-653-8 
Flash Point: 50.5 °C  
Boiling Point: 171 °C  
Density: 0.853 g/mL at 20 °C(lit.)
FEMA: 3369
Refractive index: n20/D 1.406

Uses

 Isobutyl isovalerate (589-59-3) is used as flavoring and production of fruit essences.

Toxicity Data With Reference

1.   

skn-rbt 500 mg/24H MOD

   FCTOD7    Food and Chemical Toxicology. 20 (Suppl)(1982),725.
2.   

orl-rbt LD50:7755 mg/kg

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

skn-rbt LD50:>5 g/kg

   FCTOD7    Food and Chemical Toxicology. 20 (1982),725.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Low toxicity by ingestion and skin contact. A skin irritant. When heated to decomposition it emits acrid smoke and fumes. See also ESTERS.
Safety information of  Isobutyl isovalerate (589-59-3):
Hazard Codes  Xi
Risk Statements 
R36/37/38: Irritating to eyes, respiratory system and skin 
Safety Statements  
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
WGK Germany  2
RTECS  NY1506000

Specification

Keep tightly closed. Keep away from heat and open flame. Store in a cool dry place.