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120-57-0

120-57-0 structural image
Product Name: Piperonyl aldehyde
Formula: C8H6O3
Synonyms: 1,3-Benzodioxole-5-carboxaldehyde;3,4-(Methylenedioxy)benzaldehyde;Heliotropin
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Piperonal appears as colorless lustrous crystals. (NTP, 1992)
Color/Form Colorless, lustrous crystals
Odor Heliotrope odor
Taste Bittersweet taste
Boiling Point 505 °F at 760 mmHg (NTP, 1992)
Melting Point 99 °F (NTP, 1992)
Solubility Slightly soluble (NTP, 1992)
Vapor Pressure 1 mmHg at 189 °F (NTP, 1992)
LogP log Kow = 1.05
Stability/Shelf Life Stable under recommended storage conditions.
pH Solution (1 to 10) acid to litmus
Kovats Retention Index 1305 1285.1 1285.4 1292.2 1370 1305
Other Experimental Properties Acid value: 3.0; Assay: 98.0% min
Chemical Classes Biological Agents -> Plant Oils and Extracts

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H317:Sensitisation, Skin
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P272:Contaminated work clothing should not be allowed out of the workplace.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
P333+P313:IF SKIN irritation or rash occurs: Get medical advice/attention.

COMPUTED DESCRIPTORS

Molecular Weight 150.13 g/mol
XLogP3 1.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 1
Exact Mass 150.031694049 g/mol
Monoisotopic Mass 150.031694049 g/mol
Topological Polar Surface Area 35.5 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 157
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

Piperonal appears as colorless lustrous crystals. (NTP, 1992)