589-59-3
Product Name:
Isobutyl isovalerate
Formula:
C9H18O2
Synonyms:
2-Methylpropyl 3-methylbutyrate;Isobutyl 3-methyl butyrate
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | colourless to pale yellow liquid |
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Boiling Point | 168.50 °C. @ 760.00 mm Hg |
Solubility | miscible with alcohol |
Density | 0.850-0.854 |
Refractive Index | 1.404-1.408 |
Kovats Retention Index | 989 990 985 985 989 994 989 993 985 990 992 989 985 988 989 991 991 |
SAFETY INFORMATION
Signal word | Warning |
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Pictogram(s) |
Flame Flammables GHS02 Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H226:Flammable liquids H315:Skin corrosion/irritation |
Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P233:Keep container tightly closed. P240:Ground/bond container and receiving equipment. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P370+P378:In case of fire: Use … for extinction. P403+P235:Store in a well-ventilated place. Keep cool. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
Molecular Weight | 158.24 g/mol |
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XLogP3 | 2.7 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 2 |
Rotatable Bond Count | 5 |
Exact Mass | 158.130679813 g/mol |
Monoisotopic Mass | 158.130679813 g/mol |
Topological Polar Surface Area | 26.3 Ų |
Heavy Atom Count | 11 |
Formal Charge | 0 |
Complexity | 117 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
2-Methylpropyl 3-methylbutanoate is a fatty acid ester.