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65405-80-3

65405-80-3 structural image
Product Name: CROTONIC ACID CIS-3-HEXEN-1-YL ESTER
Formula: C10H16O2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Colourless liquid; green, vegetable-like aroma
Solubility insoluble in water; soluble in oils
Density 0.894-0.904
Refractive Index 1.427-1.437

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
Precautionary Statement Codes P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P280:Wear protective gloves/protective clothing/eye protection/face protection.

COMPUTED DESCRIPTORS

Molecular Weight 168.23 g/mol
XLogP3 2.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 6
Exact Mass 168.115029749 g/mol
Monoisotopic Mass 168.115029749 g/mol
Topological Polar Surface Area 26.3 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 169
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 2
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

cis-3-Hexenyl crotonate is a natural product found in Acca sellowiana with data available.