1-Methylpyrrole
- Product Name1-Methylpyrrole
- CAS96-54-8
- CBNumberCB4302014
- MFC5H7N
- MW81.12
- EINECS202-513-7
- MDL NumberMFCD00005345
- MOL File96-54-8.mol
Chemical Properties
| Melting point: | -57 °C |
| Boiling point: | 113 °C |
| Density | 0.91 |
| vapor density | 2.8 (vs air) |
| vapor pressure | 15 mm Hg ( 20.2 °C) |
| refractive index | 1.48 |
| Flash point: | 16 °C |
| storage temp. | Store below +30°C. |
| solubility | 13g/l |
| pka | -2.80±0.70(Predicted) |
| form | clear liquid |
| color | Colorless to Light yellow to Light orange |
| Odor | at 1.00 % in dipropylene glycol. powerful smoky woody herbal |
| PH | 10.4 (10g/l, H2O, 10℃) |
| explosive limit | 1.4-8.5%(V) |
| biological source | synthetic |
| Odor Type | woody |
| Water Solubility | Soluble in organic solvents such as alcohol and so on, but insoluble in water. |
| BRN | 104181 |
| Henry's Law Constant | 9.0×10-3 mol/(m3Pa) at 25℃, Hilal et al. (2008) |
| Major Application | flavors and fragrances |
| InChI | 1S/C5H7N/c1-6-4-2-3-5-6/h2-5H,1H3 |
| InChIKey | OXHNLMTVIGZXSG-UHFFFAOYSA-N |
| SMILES | Cn1cccc1 |
| LogP | 1.210 |
| CAS DataBase Reference | 96-54-8(CAS DataBase Reference) |
| NIST Chemistry Reference | 1H-Pyrrole, 1-methyl-(96-54-8) |
| EPA Substance Registry System | 1H-Pyrrole, 1-methyl- (96-54-8) |
Safety
| Symbol(GHS) |
  GHS02,GHS07 |
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| Signal word | Danger | |||||||||
| Hazard statements | H225-H302-H315 | |||||||||
| Precautionary statements | P210-P233-P240-P241-P301+P312-P303+P361+P353 | |||||||||
| PPE | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter | |||||||||
| Hazard Codes | F,Xi,Xn | |||||||||
| Risk Statements | 11-36/37/38-37/38-22 | |||||||||
| Safety Statements | 16-26-36-37-25-23 | |||||||||
| RIDADR | UN 1993 3/PG 2 | |||||||||
| WGK Germany | 3 | |||||||||
| RTECS | UX9640000 | |||||||||
| Autoignition Temperature | 400 °C | |||||||||
| TSCA | TSCA listed | |||||||||
| HazardClass | 3 | |||||||||
| PackingGroup | II | |||||||||
| HS Code | 2933990099 | |||||||||
| Storage Class | 3 - Flammable liquids | |||||||||
| Hazard Classifications |
Acute Tox. 4 Oral Flam. Liq. 2 Skin Irrit. 2 |
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| Toxicity | LD50 orally in Rabbit: 1400 mg/kg LD50 dermal Rabbit > 400 mg/kg | |||||||||
| Limited Quantities | 1.0 L (0.3 gallon) (liquid) | |||||||||
| Excepted Quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml) | |||||||||
| NFPA 704: |
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