1-(5-methyl-2-furfuryl) pyrrole
information only not used for fragrances or flavors
| 2D: |
 |
| 3D: |
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| CAS Number: |
13678-52-9
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| FDA UNII: |
Search |
| Category: |
information only not used for fragrances or flavors |
| IUPAC Name: |
1-(5-methyl-2-furfuryl) pyrrole |
| InChI : |
InChI=1/C10H11NO/c1-9-4-5-10(12-9)8-11-6-2-3-7-11/h2-7H,8H2,1H3 |
| Std.InChI: |
InChI=1S/C10H11NO/c1-9-4-5-10(12-9)8-11-6-2-3-7-11/h2-7H,8H2,1H3 |
| InChIKey : |
CAHIUMOBCXFSCC-UHFFFAOYAZ |
| Std.InChIKey: |
CAHIUMOBCXFSCC-UHFFFAOYSA-N |
| SMILES : |
CC1=CC=C(O1)CN2C=CC=C2 |
| Molar Refractivity : |
48.69 ± 0.5 cm3 (est) |
| Parachor : |
376.6 ± 8.0 cm3 (est) |
| Index of Refraction : |
1.549 ± 0.05 (est) |
| Surface Tension : |
36.8 ± 7.0 dyne/cm (est) |
| Density : |
1.05 ± 0.1 g/cm3 (est) |
| Polarizability : |
19.30 ± 0.5 10-24cm3 (est) |
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Physical Properties:
| Assay: | 95.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 233.38 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure: | 0.085000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 203.00 °F. TCC ( 94.90 °C. ) (est) |
| logP (o/w): | 1.223 (est) |
| Soluble in: |
| | alcohol |
| | water, 167.6 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 | |
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| 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: |
| information only not used for fragrances or flavors |
| Recommendation for 1-(5-methyl-2-furfuryl) pyrrole usage levels up to: |
| | not for fragrance use. |
| |
| Recommendation for 1-(5-methyl-2-furfuryl) pyrrole flavor usage levels up to: |
| | not for flavor use. |
Potential Blenders and core components :
Occurrence (nature, food, other):
Synonyms:
| 1-(5- | methyl-2-furfuryl)pyrrole |
| 1-[(5- | methyl-2-furyl)methyl]-1H-pyrrole |
| 1-[(5- | methylfuran-2-yl)methyl]pyrrole |
| | pyrrole, 1-(5-methylfurfuryl) |
| 1H- | pyrrole, 1-[(5-methyl-2-furanyl)methyl]- |
