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88-09-5

88-09-5 structural image
Product Name: 2-Ethylbutyric acid
Formula: C6H12O2
Synonyms: 2-Ethylbutyric acid;Diethylacetic acid
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Colorless liquid; [Merck Index] Colorless liquid with a rancid odor; [Acros Organics MSDS]
Boiling Point 99.00 to 101.00 °C. @ 18.00 mm Hg
Melting Point -15 °C
Solubility 18 mg/mL at 20 °C
Density 0.917-0.922
Vapor Pressure 0.18 [mmHg]
LogP 1.68
Refractive Index 1.413
Chemical Classes Other Classes -> Organic Acids

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06

Health Hazard
GHS08
GHS Hazard Statements H311:Acute toxicity,dermal
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H373:Specific target organ toxicity, repeated exposure
Precautionary Statement Codes P260:Do not breathe dust/fume/gas/mist/vapours/spray.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P314:Get medical advice/attention if you feel unwell.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 116.16 g/mol
XLogP3 1.7
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 3
Exact Mass 116.083729621 g/mol
Monoisotopic Mass 116.083729621 g/mol
Topological Polar Surface Area 37.3 Ų
Heavy Atom Count 8
Formal Charge 0
Complexity 74.6
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-Ethylbutanoic acid is a branched-chain fatty acid.