Piperonyl acetone supplier | CasNO.55418-52-5

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Name
Piperonyl acetone
EINECS 259-630-1
CAS No. 55418-52-5
Article Data23
CAS DataBase
Density 1.175 g/cm³
Solubility
Melting Point 49-54 °C(lit.)
Formula C₁₁H₁₂O₃
Boiling Point 294.5 °C at 760 mmHg
Molecular Weight 192.214
Flash Point 122.8 °C
Transport Information
Appearance crystalline powder
Safety 22-24/25
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 35.53000
LogP 1.93690

Piperonyl acetone 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 C₁₁H₁₂O₃and 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

Product Name

Piperonyl acetone

Piperonyl acetone Specification

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