BETA-METHYLINDOLE
3-Methylindole
CAS: 83-34-1
Molecular Formula: C9H9N
BETA-METHYLINDOLE - Names and Identifiers
| Name | 3-Methylindole |
| Synonyms | 3-MI SKATOL SCATOLE SKATOLE Skatole FEMA 3019 3-Methyindole 3-METHYLINDOLE 3-Methylindole 3-Methyl indole BETA-METHYLINDOLE 3-METHYL-1H-INDOLE 3-Methyl-1H-indole |
| CAS | 83-34-1 |
| EINECS | 201-471-7 |
| InChI | InChI=1/C9H9N/c1-7-6-10-9-5-3-2-4-8(7)9/h2-6,10H,1H3 |
| InChIKey | ZFRKQXVRDFCRJG-UHFFFAOYSA-N |
BETA-METHYLINDOLE - Physico-chemical Properties
| Molecular Formula | C9H9N |
| Molar Mass | 131.17 |
| Density | 1.0111 (estimate) |
| Melting Point | 92-97 °C (lit.) |
| Boling Point | 265-266 °C (lit.) |
| Flash Point | 132 °C |
| JECFA Number | 1304 |
| Water Solubility | Soluble in water, Ether, Alcohols, Benzene, Acetone, Chloroform. |
| Solubility | Soluble in hot water, ethanol, benzene, chloroform and ether. |
| Vapor Presure | 0.0153mmHg at 25°C |
| Appearance | White crystal |
| Color | Almost white to pale brown |
| Odor | indole-like odor |
| Merck | 14,8560 |
| BRN | 111296 |
| pKa | 17.30±0.30(Predicted) |
| Storage Condition | Store below +30°C. |
| Stability | Stable, but light-sensistive. Stench! Incompatible with strong oxidizing agents, strong acids, acid ahydrides, acid chlorides. Combustible. |
| Sensitive | Light Sensitive |
| Refractive Index | 1.6070 (estimate) |
| MDL | MFCD00005627 |
| Physical and Chemical Properties | Melting point 95-98°C boiling point 265-266°C (755 mmHg) flash point 132°C |
| Use | Used as a reagent for organic synthesis |
BETA-METHYLINDOLE - Risk and Safety
| Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and skin. R51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. S61 - Avoid release to the environment. Refer to special instructions / safety data sheets. |
| UN IDs | UN3077 - class 9 - PG 3 - DOT/IATA UN3335 - Environmentally hazardous substances, solid, n.o.s., HI: all (not BR) |
| WGK Germany | 2 |
| RTECS | NM0350000 |
| FLUKA BRAND F CODES | 8-13 |
| TSCA | Yes |
| HS Code | 29339920 |
| Toxicity | MLD in frogs (mg/kg): 1000 s.c. (Bin-Ichi) |
BETA-METHYLINDOLE - Introduction
It stinks of dung. Sensitive to light. It gradually turns brown for a long time. Potassium cyanide and sulfuric acid can produce purple. Minimum lethal dose (frog, subcutaneous) 1-0g/kg. It's irritating.
Last Update：2022-10-16 17:29:13
BETA-METHYLINDOLE - Reference Information
| FEMA | 3019 | SKATOLE |
| olfactory Threshold | 0.0000056ppm |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Overview | skatole White scale or powder crystals (from petroleum ether) that gradually darken when exposed to air; band (fecal) and strong indole-like animal fragrance. The momentum is very strong, the diffusion is strong, very lasting. At high concentrations, the breath is queasy, and only at very low concentrations is there a cat-like animal scent. Taste is a warm, overcooked, ripe fruit-like taste. Melting point 96 ℃(93~96 ℃); Boiling point 265~266 ℃; Soluble in boiling water, soluble in ethanol and other general organic solvents. |
| Use | Skatole has a good value for fixing fragrance, but only trace amounts can be used in the flower flavor to give the cat fragrance, giving people a kind of over-cooked flower fragrance. It is commonly used to prepare the large cat fragrance. In the flavor formula, it is often used with phenylacetic acid, cat ketone or giant ring ketone to obtain a good natural animal flavor effect, and the same effect with the sandalwood fragrance is better. there is a good value of fixed fragrance, often used as fixative, but can only be used in trace amount of flower fragrance to match the cat fragrance, also commonly used to prepare the cat fragrance. It is also often used with phenylacetic acid, cat ketone or giant ring ketone to achieve good natural animal flavor effect. Limit trace for grape, cheese fruit flavor, nut flavor and other food flavors. 3-methyl indole has an unpleasant fecal odor, but after a large number of dilution, it has a pleasant fragrance, especially with the fragrance of the cat-based fragrance, in cheese, nuts, grape and other products to add a small amount of effect, added in the flavor flavor, can have fish flavor. used as organic synthesis reagent it can be used as Biochemical reagent and has inhibitory effect on trypsin activity. After a large number of diluted with flower flavor, is used in cigarettes, perfume flavor, fixative and food spices. pharmaceutical intermediates; Fixative |
| method of production | 3-methylindole is present in cat flavor, humans, cheese, milk and tea. Industrial production of propionaldehyde phenylhydrazone can be obtained by heating propionaldehyde and phenylhydrazine to remove water molecules, and then heated with zinc chloride or sulfuric acid to remove ammonia molecules to obtain 3-methyl indole. |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 02:00:12
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