4-(1,3-benzodioxol-5-yl)butan-2-one
4-(1,3-Benzodioxol-5-yl)-2-butanone
CAS: 55418-52-5
Molecular Formula: C11H12O3
4-(1,3-benzodioxol-5-yl)butan-2-one - Names and Identifiers
| Name | 4-(1,3-Benzodioxol-5-yl)-2-butanone |
| Synonyms | DULCINYL FEMA 2701 Dulcinyl(IFF) PIPERONYLACETONE Piperonylacetone HELIOTROPYL ACETONE 3,4-METHYLENEDIOXYBENZYL ACETONE 4-(1,3-benzodioxol-5-yl)-2-butanon 4-(1,3-Benzodioxol-5-yl)-2-butanone 4-(1,3-benzodioxol-5-yl)butan-2-one 2-Butanone, 4-(1,3-benzodioxol-5-yl)- 4-(2H-1,3-benzodioxol-5-yl)butan-2-one 4-(3,4-Methylenedioxy)phenyl-2-butanone 4-(3,4-Methylene Dioxy phenyl)-2-Butanone 4-(1,3-Benzodioxol-5-yl)-2-butanone~3,4-(Methylenedioxy)benzylacetone |
| CAS | 55418-52-5 |
| EINECS | 259-630-1 |
| InChI | InChI=1/C21H30FN3O2.C3H6O/c22-18-8-6-17(7-9-18)19(26)5-4-12-24-15-10-21(11-16-24,20(23)27)25-13-2-1-3-14-25;1-3(2)4/h6-9H,1-5,10-16H2,(H2,23,27);1-2H3 |
| InChIKey | TZJLGGWGVLADDN-UHFFFAOYSA-N |
4-(1,3-benzodioxol-5-yl)butan-2-one - Physico-chemical Properties
| Molecular Formula | C11H12O3 |
| Molar Mass | 192.21 |
| Density | 1.175±0.06 g/cm3(Predicted) |
| Melting Point | 49-54°C(lit.) |
| Boling Point | 176°C17mm Hg(lit.) |
| Flash Point | >230°F |
| JECFA Number | 2048 |
| Solubility | Chloroform (Slightly), DMSO (Slightly) |
| Vapor Presure | 6.43E-15mmHg at 25°C |
| Appearance | Solid |
| Color | Colourless crystals. |
| BRN | 169843 |
| Storage Condition | 4°C |
| Refractive Index | 1.52-1.522 |
4-(1,3-benzodioxol-5-yl)butan-2-one - Risk and Safety
| Safety Description | S22 - Do not breathe dust. S24/25 - Avoid contact with skin and eyes. |
| WGK Germany | 2 |
| TSCA | Yes |
| Toxicity | The acute oral LD50 value in rats was reported as 4Og/kg and the acute dermal LD50 value in rabbits exceeded 5 g/kg (Wohl, 1974). |
4-(1,3-benzodioxol-5-yl)butan-2-one - Reference Information
| FEMA | 2701 | 4-(3,4-METHYLENEDIOXYPHENYL)-2-BUTANONE |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| toxicity | GRAS(FEMA). |
| usage limit | FEMA(mg/kg): soft drink 8.2; Cold drink 45.0; Candy, baked goods, 40.0. |
| biological activity | Piperonyl acetone is a food additive used for edible seasonings. |
Last Update：2024-04-09 02:00:05
