Name
|
|
EINECS
|
209-653-8
|
CAS No.
|
589-59-3
|
Density
|
0.873 g/cm3
|
PSA
|
26.30000
|
LogP
|
2.23170
|
Solubility
|
N/A
|
Melting Point
|
-92.8°C (estimate)
|
Formula
|
C9H18O2
|
Boiling Point
|
170.999 °C at 760 mmHg
|
Molecular Weight
|
158.241
|
Flash Point
|
50.512 °C
|
Transport Information
|
N/A
|
Appearance
|
N/A
|
Safety
|
26
|
Risk Codes
|
36/37/38
|
Molecular Structure
|
|
Hazard Symbols
|
Xi
|
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;
|
Article Data |
6
|
Isobutyl isovalerate Chemical Properties
Product Name: Isobutyl isovalerate
The MF of Isobutyl isovalerate (589-59-3) is C
9H
18O
2.
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
Isobutyl isovalerate Uses
Isobutyl isovalerate (589-59-3) is used as flavoring and production of fruit essences.
Isobutyl isovalerate 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. |
Isobutyl isovalerate Consensus Reports
Reported in EPA TSCA Inventory.
Isobutyl isovalerate 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
Isobutyl isovalerate Specification
Keep tightly closed. Keep away from heat and open flame. Store in a cool dry place.