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35852-46-1

35852-46-1 structural image
Product Name: N-VALERIC ACID CIS-3-HEXEN-1-YL ESTER
Formula: C11H20O2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Colourless liquid; fruity, ripe apple or pear-like aroma
Boiling Point 108.00 to 109.00 °C. @ 20.00 mm Hg
Solubility insoluble in water; soluble in fats
Density 0.879-0.885
Refractive Index 1.432-1.438
Kovats Retention Index 1243 1270

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H227:Flammable liquids
H320:Serious eye damage/eye irritation
H401:Hazardous to the aquatic environment, acute hazard
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P273:Avoid release to the environment.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P337+P313:IF eye irritation persists: Get medical advice/attention.
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 184.27 g/mol
XLogP3 3.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 8
Exact Mass 184.146329876 g/mol
Monoisotopic Mass 184.146329876 g/mol
Topological Polar Surface Area 26.3 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 150
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Cis-3-Hexenyl pentanoate is a fatty acid ester.