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61444-38-0

61444-38-0 structural image
Product Name: CIS-3-HEXENYL CIS-3-HEXENOATE
Formula: C12H20O2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description colourless liquid, with a green grass, green tomato odour
Boiling Point 60.00 °C. @ 0.50 mm Hg
Solubility insoluble in water, soluble in fixed oils
Density 0.897-0.903
Refractive Index 1.452
Kovats Retention Index 1388.8

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Exclamation Mark
Irritant
GHS07

Health Hazard
GHS08

Environment
GHS09
GHS Hazard Statements H302:Acute toxicity,oral
H361:Reproductive toxicity
H372:Specific target organ toxicity, repeated exposure
H410:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P201:Obtain special instructions before use.
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.
P312:Call a POISON CENTER or doctor/physician if you feel unwell.
P301+P330+P331:IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.

COMPUTED DESCRIPTORS

Molecular Weight 196.29 g/mol
XLogP3 3.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 8
Exact Mass 196.146329876 g/mol
Monoisotopic Mass 196.146329876 g/mol
Topological Polar Surface Area 26.3 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 193
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 cis-3-hexenoate is a fatty acid ester.