Piperonal

Molecule structure of Piperonal (CAS NO.120-57-0):

IUPAC Name: 1,3-Benzodioxole-5-carbaldehyde 
Molecular Weight: 150.13144 g/mol
Molecular Formula: C₈H₆O₃ 
Density: 1.337 g/cm³ 
Melting Point: 35-39 °C(lit.)
Boiling Point: 263.3 °C at 760 mmHg 
Flash Point: 103.6 °C
Index of Refraction: 1.614
Molar Refractivity: 39.16 cm³
Molar Volume: 112.2 cm³
Surface Tension: 56.4 dyne/cm 
Enthalpy of Vaporization: 50.11 kJ/mol
Vapour Pressure: 0.0104 mmHg at 25 °C 
Storage Temp.: dark room
Water Solubility: slightly soluble
XLogP3: 1.1
H-Bond Acceptor: 3
Rotatable Bond Count: 1
Exact Mass: 150.031694
MonoIsotopic Mass: 150.031694
Topological Polar Surface Area: 35.5
Heavy Atom Count: 11
Canonical SMILES: C1OC2=C(O1)C=C(C=C2)C=O
InChI: InChI=1S/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2
InChIKey: SATCULPHIDQDRE-UHFFFAOYSA-N
EINECS: 204-409-7
Product Categories: Food and Feed Additive

 Piperonal (CAS NO.120-57-0) is commonly used for the preparation of floral and fantasy-type flavor, and also used for the electroplating.

 Piperonal can be obtained by oxidation of piperonyl alcohol or the reduction of piperic acid.

Reported in EPA TSCA Inventory.

Hazard Codes: Xi
Risk Statements: 38-52/53 
R38:Irritating to skin. 
R52/53:Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Statements: 61-24/25 
S61:Avoid release to the environment. Refer to special instructions / safety data sheets. 
S24/25:Avoid contact with skin and eyes.
WGK Germany: 2
RTECS: TO1575000
F: 8-10-23
Moderately toxic by ingestion and intraperitoneal routes. Can cause central nervous system depression. A human skin irritant. Mutation data reported. Combustible when exposed to heat or flame; can react with oxidizing materials.

 Piperonal (CAS NO.120-57-0) is also named as 1,3-Benzodioxole-5-carboxaldehyde ; 3,4-Bis(methylenedioxy)benzaldehyde ; 3,4-Dihydroxybenzaldehyde methylene ketal ; 3,4-Dimethylenedioxybenzaldehyde ; 3,4-Methylene-dihydroxybenzaldehyde ; 3,4-Methylenedioxybenzaldehyde ; 5-Formyl-1,3-benzodioxole ; AI3-01198 ; Benzaldehyde, 3,4-(methylenedioxy)- ; CCRIS 5928 ; Dioxymethylene protocatechuic aldehyde ; Dioxymethylene-protocatechuic aldehyde ; FEMA No. 2911 ; Geliotropin ; HSDB 581 ; Heliotropin ; Heliotropin (natural) ; Heliotropine ; NSC 26826 ; Piperonaldehyde ; Piperonyl aldehyde ; Piperonylaldehyde ; Protocatechuic aldehyde methylene ether ; UNII-KE109YAK00 . Piperonal (CAS NO.120-57-0) is white crystalline solid. Piperonal is an aldehyde. Aldehydes are frequently involved in self-condensation or polymerization reactions. These reactions are exothermic; they are often catalyzed by acid. Aldehydes are readily oxidized to give carboxylic acids. The combination of aldehydes with azo, diazo compounds, dithiocarbamates, nitrides, and strong reducing agents can generate flammable and/or toxic gases. Aldehydes can react with air to give first peroxo acids, and ultimately carboxylic acids. These autoxidation reactions are activated by light, catalyzed by salts of transition metals, and are autocatalytic (catalyzed by the products of the reaction). The addition of stabilizers (antioxidants) to shipments of aldehydes retards autoxidation. Piperonal is sensitive to light. It may react with oxidizing materials. Flash point data for Piperonal are not available. It is probably combustible.