CAS 83-34-1|3-Methylindole
| Common Name | 3-Methylindole | ||
|---|---|---|---|
| CAS Number | 83-34-1 | Molecular Weight | 131.17 |
| Density | 1.1±0.1 g/cm3 | Boiling Point | 265.1±9.0 °C at 760 mmHg |
| Molecular Formula | C9H9N | Melting Point | 92-97 °C(lit.) |
| MSDS | ChineseUSA | Flash Point | 112.5±11.3 °C |
| Symbol | GHS07, GHS09 | Signal Word | Warning |
Names
| Name | skatole |
|---|---|
| Synonym | More Synonyms |
3-Methylindole BiologicalActivity
| Description | Skatole is produced by intestinal bacteria, regulates intestinal epithelial cellular functions through activating aryl hydrocarbon receptors and p38[1]. |
|---|---|
| Related Catalog | Research Areas >>OthersSignaling Pathways >>Immunology/Inflammation >>Aryl Hydrocarbon Receptor |
| Target | p38 Aryl hydrocarbon receptor |
| References | [1]. Kurata K, et al. Skatole regulates intestinal epithelial cellular functions through activating aryl hydrocarbon receptors and p38. Biochem Biophys Res Commun. 2019 Feb 7. |
Chemical & Physical Properties
| Density | 1.1±0.1 g/cm3 |
|---|---|
| Boiling Point | 265.1±9.0 °C at 760 mmHg |
| Melting Point | 92-97 °C(lit.) |
| Molecular Formula | C9H9N |
| Molecular Weight | 131.17 |
| Flash Point | 112.5±11.3 °C |
| Exact Mass | 131.073502 |
| PSA | 15.79000 |
| LogP | 2.60 |
| Vapour Pressure | 0.0±0.5 mmHg at 25°C |
| Index of Refraction | 1.655 |
| InChIKey | ZFRKQXVRDFCRJG-UHFFFAOYSA-N |
| SMILES | Cc1c[nH]c2ccccc12 |
| Stability | Stable, but light-sensistive. Stench! Incompatible with strong oxidizing agents, strong acids, acid ahydrides, acid chlorides. Combustible. |
Toxicological Information
CHEMICAL IDENTIFICATION |
ACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 3450 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 14,863,1976
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 470 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- AECTCV Archives of Environmental Contamination and Toxicology. (Springer-Verlag New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ 070944) V.1- 1973- Volume(issue)/page/year: 14,111,1985
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 175 mg/kg
- TOXIC EFFECTS :
- Liver - other changes Kidney, Ureter, Bladder - other changes Blood - other changes
- REFERENCE :
- FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 14,863,1976
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Amphibian - frog
- DOSE/DURATION :
- 1 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- 85KYAH "Merck Index; an Encyclopedia of Chemicals, Drugs, and Biologicals", 11th ed., Rahway, NJ 07065, Merck & Co., Inc. 1989 Volume(issue)/page/year: 11,1354,1989
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Parenteral
- SPECIES OBSERVED :
- Amphibian - frog
- DOSE/DURATION :
- 435 mg/kg
- TOXIC EFFECTS :
- Behavioral - altered sleep time (including change in righting reflex) Lungs, Thorax, or Respiration - respiratory depression
- REFERENCE :
- JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 19,307,1922
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Mammal - domestic
- DOSE/DURATION :
- 300 mg/kg
- TOXIC EFFECTS :
- Lungs, Thorax, or Respiration - chronic pulmonary edema
- REFERENCE :
- FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 14,863,1976
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Mammal - cattle
- DOSE/DURATION :
- 200 mg/kg
- TOXIC EFFECTS :
- Lungs, Thorax, or Respiration - emphysema Lungs, Thorax, or Respiration - chronic pulmonary edema
- REFERENCE :
- FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 14,863,1976
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Mammal - cattle
- DOSE/DURATION :
- 60 mg/kg
- TOXIC EFFECTS :
- Lungs, Thorax, or Respiration - emphysema Lungs, Thorax, or Respiration - chronic pulmonary edema
- REFERENCE :
- FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 14,863,1976 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - E0419 No. of Facilities: 21 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 83 (estimated) No. of Female Employees: 83 (estimated)
Safety Information
| Symbol | GHS07, GHS09 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H315-H319-H335-H411 |
| Precautionary Statements | P261-P273-P305 + P351 + P338 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
| Hazard Codes | Xi:Irritant |
| Risk Phrases | R36/37/38 |
| Safety Phrases | S26-S36 |
| RIDADR | UN3077 - class 9 - PG 3 - DOT/IATA UN3335 - Environmentally hazardous substances, solid, n.o.s., HI: all (not BR) |
| WGK Germany | 2 |
| RTECS | NM0350000 |
| HS Code | 2933990090 |
Customs
| HS Code | 2933990090 |
|---|---|
| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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Synonyms
| SKATOLE(RG) |
| 3-MI |
| MFCD00005627 |
| 3-Methyl-1H-indole |
| SKATOL |
| EINECS 201-471-7 |
| 1H-Indole, 3-methyl- |
| 3-Methylindole |
| SCATOLE |
| β-Methylindole |
| T56 BMJ D1 |
| Skatole |
| b-Methylindole |
| Indole, 3-methyl- |
| SKETOLE |
| 3-Metlylindole |
| 3-methyl-indole |
| scatol |
| FEMA 3019 |
| 3-Methyl-1H-indazole |
