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| CAS No.: | 55418-52-5 |
|---|---|
| Name: | Piperonyl acetone |
| Article Data: | 23 |
| Molecular Structure: | |
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| Formula: | C11H12O3 |
| Molecular Weight: | 192.214 |
| Synonyms: | 2-Butanone,4-[3,4-(methylenedioxy)phenyl]- (6CI,7CI);4-(1,3-Benzodioxol-5-yl)-2-butanone;4-(3,4-Methylenedioxyphenyl)-2-butanone;5-(3-Oxobutyl)-1,3-benzodioxole;Cassione;Dulcinyl;NSC 405365; |
| EINECS: | 259-630-1 |
| Density: | 1.175 g/cm3 |
| Melting Point: | 49-54 °C(lit.) |
| Boiling Point: | 294.5 °C at 760 mmHg |
| Flash Point: | 122.8 °C |
| Appearance: | crystalline powder |
| Safety: | 22-24/25 |
| PSA: | 35.53000 |
| LogP: | 1.93690 |
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This product is a nationally controlled contraband, and the Lookchem platform doesn't provide relevant sales information.
Specification
The 2-Butanone,4-(1,3-benzodioxol-5-yl)-, with the CAS registry number , has the IUPAC name 4-(1,3-benzodioxol-5-yl)butan-2-one. Its molecular formula is C11H12O3 and its product categories are Aromatic Ketones (substituted); Pharmaceutical Intermediates, Organic Materials. Moreover, this chemical has the sweet fennel, floral aroma and it's used on cleaning products and cosmetics fragranceit. It can be obtained by yang jasminaldehyde and acetone condensation with 5% palladium carbon catalytic hydrogenation. However, this chemical should be kept cool and dry.
Other characteristics of the 2-Butanone,4-(1,3-benzodioxol-5-yl)- can be summarised as followings: (1)ACD/LogP: 1.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.53; (4)ACD/LogD (pH 7.4): 1.53; (5)ACD/BCF (pH 5.5): 8.61; (6)ACD/BCF (pH 7.4): 8.61; (7)ACD/KOC (pH 5.5): 162.5; (8)ACD/KOC (pH 7.4): 162.5; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.539; (14)Molar Refractivity: 51.25 cm3; (15)Molar Volume: 163.5 cm3; (16)Polarizability: 20.32×10-24cm3; (17)Surface Tension: 45.1 dyne/cm; (18)Density: 1.175 g/cm3; (19)Flash Point: 122.8 °C; (20)Enthalpy of Vaporization: 53.42 kJ/mol; (21)Boiling Point: 294.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00161 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: Do not breathe dust. Avoid contacting with skin and eyes.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(C)CCc1ccc2OCOc2c1
2.InChI: InChI=1/C11H12O3/c1-8(12)2-3-9-4-5-10-11(6-9)14-7-13-10/h4-6H,2-3,7H2,1H3
3.InChIKey: TZJLGGWGVLADDN-UHFFFAOYAW