1-Methylpyrrole Structure

1-Methylpyrrole

Chemical Properties

Melting point ?57 °C (lit.)
Boiling point 112-113 °C (lit.)
Density  0.914 g/mL at 25 °C (lit.)
vapor density  2.8 (vs air)
vapor pressure  15 mm Hg ( 20.2 °C)
refractive index  n20/D 1.489
Flash point 59 °F
storage temp.  Store below +30°C.
solubility  13g/l
pka -2.80±0.70(Predicted)
form  liquid
color  yellow-brown
PH 10.4 (10g/l, H2O, 10℃)
Odor at 1.00 % in dipropylene glycol. powerful smoky woody herbal
Odor Type woody
biological source synthetic
explosive limit 1.4-8.5%(V)
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)
EWG's Food Scores 1
FDA UNII NG5GPN98ZG
NIST Chemistry Reference 1H-Pyrrole, 1-methyl-(96-54-8)
EPA Substance Registry System 1H-Pyrrole, 1-methyl- (96-54-8)
UNSPSC Code 12352100
NACRES NA.22
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Safety

Symbol(GHS) Flame (GHS02)Exclamation Mark (GHS07)
Signal wordDanger
Hazard statements H225-H302-H315
Precautionary statements P210-P233-P240-P241-P301+P312-P303+P361+P353
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  29339990
Storage Class 3 - Flammable liquids
Hazard Classifications Acute Tox. 4 Oral
Flam. Liq. 2
Skin Irrit. 2
Toxicity LD50 orally in Rabbit: 1400 mg/kg LD50 dermal Rabbit > 400 mg/kg
NFPA 704:
3
1

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