2-acetonyl-5-methyl furan
natural substances and extractives
| 2D: |
 |
| 3D: |
|
| CAS Number: |
13678-74-5
|
| FDA UNII: |
Search |
| Category: |
natural substances and extractives |
| IUPAC Name: |
2-acetonyl-5-methyl furan |
| InChI : |
InChI=1/C8H10O2/c1-6(9)5-8-4-3-7(2)10-8/h3-4H,5H2,1-2H3 |
| Std.InChI: |
InChI=1S/C8H10O2/c1-6(9)5-8-4-3-7(2)10-8/h3-4H,5H2,1-2H3 |
| InChIKey : |
BDIRNQMRQINOKT-UHFFFAOYAC |
| Std.InChIKey: |
BDIRNQMRQINOKT-UHFFFAOYSA-N |
| SMILES : |
CC1=CC=C(O1)CC(=O)C |
| Molar Refractivity : |
37.58 ± 0.3 cm3 (est) |
| Parachor : |
320.3 ± 4.0 cm3 (est) |
| Index of Refraction : |
1.469 ± 0.02 (est) |
| Surface Tension : |
31.7 ± 3.0 dyne/cm (est) |
| Density : |
1.023 ± 0.06 g/cm3 (est) |
| Polarizability : |
14.90 ± 0.5 10-24cm3 (est) |
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Physical Properties:
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 95.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 185.00 to 186.00 °C. @ 760.00 mm Hg (est) |
| Boiling Point: | 75.00 °C. @ 10.00 mm Hg |
| Vapor Pressure: | 0.688000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 165.00 °F. TCC ( 73.90 °C. ) (est) |
| logP (o/w): | 1.060 (est) |
| Soluble in: |
| | alcohol |
| | water, 5542 mg/L @ 25 °C (est) |
| Insoluble in: |
| | water |
Safety Information:
| |
| Hazards identification |
| |
| Classification of the substance or mixture |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) |
| None found. |
| GHS Label elements, including precautionary statements |
| |
| Pictogram | |
| |
| Hazard statement(s) |
| None found. |
| Precautionary statement(s) |
| None found. |
| Oral/Parenteral Toxicity: |
| Not determined |
| Dermal Toxicity: |
| Not determined |
| Inhalation Toxicity: |
| Not determined |
Safety in Use Information:
| Category: |
| natural substances and extractives |
| Recommendation for 2-acetonyl-5-methyl furan usage levels up to: |
| | not for fragrance use. |
| |
| Recommendation for 2-acetonyl-5-methyl furan flavor usage levels up to: |
| | not for flavor use. |
Potential Blenders and core components :
Occurrence (nature, food, other):
Synonyms:
| 2- | acetonyl-5-methylfuran |
| (5- | methyl furfuryl) methyl ketone |
| 1-(5- | methyl-2-furyl) acetone |
| 1-(5- | methyl-2-furyl)-2-propanone |
| 1-(5- | methyl-2-furyl)acetone |
| (5- | methyl-furfuryl) methyl ketone |
| 1-(5- | methylfuran-2-yl)propan-2-one |
| (5- | methylfurfuryl) methyl ketone |
| 2- | propanone, 1-(5-methyl-2-furanyl)- |
