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| CAS No.: | 3160-37-0 |
|---|---|
| Name: | 3,4-(METHYLENEDIOXY)BENZYLIDENEACETONE |
| Article Data: | 17 |
| Molecular Structure: | |
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| Formula: | C11H10 O3 |
| Molecular Weight: | 190.199 |
| Synonyms: | 3-Buten-2-one,4-[3,4-(methylenedioxy)phenyl]- (6CI,7CI,8CI);3,4-(Methylenedioxy)benzalacetone; 4-(3,4-Methylenedioxyphenyl)-3-buten-2-one;5-(3-Oxo-1-butenyl)-1,3-benzodioxole; Heliotropyl acetone; NSC 217304; NSC407384; Piperonalacetone; Piperonylideneacetone |
| Density: | 1.225g/cm3 |
| Melting Point: | 108-110°C |
| Boiling Point: | 335.1°Cat760mmHg |
| Flash Point: | 147.6°C |
| Safety: | Low toxicity by ingestion. When heated to decomposition it emits acrid smoke and irritating fumes. |
| PSA: | 35.53000 |
| LogP: | 2.01750 |
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Chemistry
MF: C11H10O3
MW: 190.2
EINECS: 221-608-4
Density: 1.225 g/cm3
Flash Point: 147.6 °C
Melting Point: 108-110°C
Index of Refraction: 1.598
Appearance: Clear yellow liquid.
Solubility: Insoluble in water.
Enthalpy of Vaporization: 57.81 kJ/mol
Boiling Point: 335.1 °C at 760 mmHg
Vapour Pressure: 0.000123 mmHg at 25°C
IUPAC Name: (Z)-4-(1,3-benzodioxol-5-yl)but-3-en-2-one
Synonyms: 3,4-(Methylenedioxy)benzalacetone ; 4-(1,3-Benzodioxol-5-yl)-3-buten-2-one ; 4-(3,4-(Methylenedioxy)phenyl)-3-buten-2-one ; Piperonalacetone ; Piperonylidene-aceton
Following is the molecular structure of 3,4-Methylenedioxybenzal acetone (CAS NO.3160-37-0):
Production
Reactivity Profile: 3,4-Methylenedioxybenzal acetone (CAS NO.3160-37-0)is a ketone. Ketones are reactive with many acids and bases liberating heat and flammable gases (e.g., H2). The amount of heat may be sufficient to start a fire in the unreacted portion of the ketone. Ketones react with reducing agents such as hydrides, alkali metals, and nitrides to produce flammable gas (H2) and heat. Ketones are incompatible with isocyanates, aldehydes, cyanides, peroxides, and anhydrides. They react violently with aldehydes, HNO3, HNO3 + H2O2, and HClO4.
Toxicity Data With Reference
| 1. | orl-rat LD50:4 g/kg | FCTXAV Food and Cosmetics Toxicology. 14 (1976),659. |
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | > 2gm/kg (2000mg/kg) | European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 13, Pg. 41, 1978. | |
| rat | LD50 | oral | 4gm/kg (4000mg/kg) | Food and Cosmetics Toxicology. Vol. 14, Pg. 847, 1976. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Low toxicity by ingestion. When heated to decomposition it emits acrid smoke and irritating fumes.
Safety Information of 3,4-Methylenedioxybenzal acetone (CAS NO.3160-37-0):
Safety Statements: 22-24/25
S22: Do not breathe dust.
S24/25: Avoid contact with skin and eyes.
RTECS: EM9822500