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| CAS No.: | 120-57-0 |
|---|---|
| Name: | Piperonyl aldehyde |
| Article Data: | 309 |
| Molecular Structure: | |
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| Formula: | C8H6O3 |
| Molecular Weight: | 150.134 |
| Synonyms: | 1,3-Benzodioxole-5-carboxaldehyde;2H-Benzo[3,4-d]-1,3-dioxolan-5-ylformaldehyde;3,4-(Methylenedioxy)benzaldehyde;3,4-Dihydroxybenzaldehyde methylene ketal;3,4-Dimethylenedioxybenzaldehyde;5-Formyl-1,3-benzodioxolane;5-Formyl-1,3-benzodioxole;5-Formylbenzodioxole;Benzo[1,3]dioxole-5-carbaldehyde;Benzo[d][1,3]dioxole-5-carboxaldehyde;Geliotropin;Heliotropin;Heliotropine;NSC 26826;Piperonaldehyde;Piperonylaldehyde;Protocatechuic aldehyde methylene ether;benzo[d][1,3]dioxole-5-carbaldehyde; |
| EINECS: | 204-409-7 |
| Density: | 1.337 g/cm3 |
| Melting Point: | 35-39 °C(lit |
| Boiling Point: | 263.3 °C at 760 mmHg |
| Flash Point: | 103.6 °C |
| Solubility: | Slightly soluble in water |
| Appearance: | white crystalline solid |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 38-52/53 |
| Safety: | 61-24/25 |
| PSA: | 35.53000 |
| LogP: | 1.22780 |
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This product is a nationally controlled contraband, and the Lookchem platform doesn't provide relevant sales information.
Consensus Reports
Reported in EPA TSCA Inventory.
Specification
The Piperonal, with the CAS registry number 120-57-0,is also known as 3,4-Methylenedioxybenzaldehyde; Piperonal. It belongs to the product categories of Carbonyl Compounds;Chemical Synthesis;Organic Building Blocks. Its EINECS number is 204-409-7. This chemical's molecular formula is C8H6O3 and molecular weight is 150.13. What's more,Its systematic name is Piperonal.It is a colorless iustrous crystals which is stable,combustible,incompatible with strong oxidizing agents,bases,but air and light sensitive.And it 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.
Physical properties about Piperonal are:
(1)ACD/LogP: 1.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.05; (4)ACD/LogD (pH 7.4): 1.05; (5)ACD/BCF (pH 5.5): 3.70; (6)ACD/BCF (pH 7.4): 3.70; (7)ACD/KOC (pH 5.5): 88.76; (8)ACD/KOC (pH 7.4): 88.76; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.615; (13)Molar Refractivity: 39.167 cm3; (14)Molar Volume: 112.277 cm3; (15)Surface Tension: 56.4039993286133 dyne/cm; (16)Density: 1.337 g/cm3; (17)Flash Point: 103.641 °C; (18)Enthalpy of Vaporization: 50.111 kJ/mol; (19)Boiling Point: 263.286 °C at 760 mmHg; (20)Vapour Pressure: 0.00999999977648258 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES:c1cc2c(cc1C=O)OCO2;
(2)Std. InChI:InChI=1S/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2;
(3)Std. InChIKey:SATCULPHIDQDRE-UHFFFAOYSA-N.
Safety Information of Piperonal:
The Piperonal is Irritating to skin and harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. So it should be avoid release to the environment. Refer to special instructions / safety data sheets. When you use it ,you should avoid contact with skin and eyes.
The toxicity data of Piperonal are as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 480mg/kg (480mg/kg) | LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 43, Pg. 370, 1954. |
| rat | LD50 | oral | 2700mg/kg (2700mg/kg) | BEHAVIORAL: EXCITEMENT BEHAVIORAL: ATAXIA BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Toxicology and Applied Pharmacology. Vol. 6, Pg. 378, 1964. |
| rat | LD50 | skin | > 5mg/kg (5mg/kg) | National Technical Information Service. Vol. OTS0535062, | |
| rat | LDLo | intraperitoneal | 1500mg/kg (1500mg/kg) | BEHAVIORAL: ATAXIA BEHAVIORAL: MUSCLE WEAKNESS BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Revue Medicale de la Suisse Romande. Vol. 16, Pg. 449, 1896 |