CAS 542-56-3|Isobutyl nitrite
Introduction：Basic information about CAS 542-56-3|Isobutyl nitrite, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Isobutyl nitrite | ||
|---|---|---|---|
| CAS Number | 542-56-3 | Molecular Weight | 103.120 |
| Density | 1.0±0.1 g/cm3 | Boiling Point | 70.5±9.0 °C at 760 mmHg |
| Molecular Formula | C4H9NO2 | Melting Point | / |
| MSDS | ChineseUSA | Flash Point | -21.1±0.0 °C |
| Symbol | GHS02, GHS07, GHS08 | Signal Word | Danger |
Names
| Name | isobutyl nitrite |
|---|---|
| Synonym | More Synonyms |
Chemical & Physical Properties
| Density | 1.0±0.1 g/cm3 |
|---|---|
| Boiling Point | 70.5±9.0 °C at 760 mmHg |
| Molecular Formula | C4H9NO2 |
| Molecular Weight | 103.120 |
| Flash Point | -21.1±0.0 °C |
| Exact Mass | 103.063332 |
| PSA | 38.66000 |
| LogP | 1.92 |
| Vapour Pressure | 140.0±0.1 mmHg at 25°C |
| Index of Refraction | 1.416 |
| InChIKey | APNSGVMLAYLYCT-UHFFFAOYSA-N |
| SMILES | CC(C)CON=O |
| Stability | Stable. Incompatible with acids, alcohols, strong bases. Decomposes slowly in water. Flammable - incompatible with strong oxidizing agents. Note wide explosion limits. May be light and moisture sensitive. Oxidizer. May explode if heated. |
| Water Solubility | <0.1 g/100 mL (19 ºC) |
Toxicological Information
CHEMICAL IDENTIFICATION |
ACUTE TOXICITY DATA - TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Human - man
- DOSE/DURATION :
- 120 mg/kg
- TOXIC EFFECTS :
- Blood - methemoglobinemia-carboxyhemoglobin Vascular - BP lowering not characterized in autonomic section Cardiac - change in rate
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 410 mg/kg
- TOXIC EFFECTS :
- Behavioral - general anesthetic
- TYPE OF TEST :
- LC50 - Lethal concentration, 50 percent kill
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 777 ppm/4H
- TOXIC EFFECTS :
- Behavioral - altered sleep time (including change in righting reflex) Behavioral - excitement Lungs, Thorax, or Respiration - cyanosis
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 205 mg/kg
- TOXIC EFFECTS :
- Liver - other changes Blood - methemoglobinemia-carboxyhemoglobin
- TYPE OF TEST :
- LC50 - Lethal concentration, 50 percent kill
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1033 ppm/1H
- TOXIC EFFECTS :
- Behavioral - changes in motor activity (specific assay) Lungs, Thorax, or Respiration - cyanosis Kidney, Ureter, Bladder - urine volume increased
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 184 mg/kg
- TOXIC EFFECTS :
- Liver - other changes
- TYPE OF TEST :
- TCLo - Lowest published toxic concentration
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 600 ppm/6H/2W-I
- TOXIC EFFECTS :
- Lungs, Thorax, or Respiration - other changes Liver - other changes Related to Chronic Data - death
- TYPE OF TEST :
- TCLo - Lowest published toxic concentration
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 150 ppm/6H/13W-I
- TOXIC EFFECTS :
- Sense Organs and Special Senses (Olfaction) - effect, not otherwise specified Blood - methemoglobinemia-carboxyhemoglobin Blood - changes in erythrocyte (RBC) count
- TYPE OF TEST :
- TCLo - Lowest published toxic concentration
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 400 ppm/7H/60D-I
- TOXIC EFFECTS :
- Liver - changes in liver weight Kidney, Ureter, Bladder - changes in bladder weight Endocrine - changes in spleen weight
- TYPE OF TEST :
- TCLo - Lowest published toxic concentration
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 800 ppm/6H/2W-I
- TOXIC EFFECTS :
- Lungs, Thorax, or Respiration - changes in lung weight Nutritional and Gross Metabolic - weight loss or decreased weight gain Related to Chronic Data - death
- TYPE OF TEST :
- TCLo - Lowest published toxic concentration
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 300 ppm/6H/14W-I
- TOXIC EFFECTS :
- Lungs, Thorax, or Respiration - structural or functional change in trachea or bronchi Blood - changes in erythrocyte (RBC) count Blood - changes in leukocyte (WBC) count
- TYPE OF TEST :
- TCLo - Lowest published toxic concentration
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 300 ppm/6.5H/18W-I
- TOXIC EFFECTS :
- Liver - changes in liver weight Blood - methemoglobinemia-carboxyhemoglobin Blood - changes in leukocyte (WBC) count
- TYPE OF TEST :
- TCLo - Lowest published toxic concentration
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 150 ppm/6H/2Y-I
- TOXIC EFFECTS :
- Tumorigenic - Carcinogenic by RTECS criteria Lungs, Thorax, or Respiration - tumors
- TYPE OF TEST :
- TCLo - Lowest published toxic concentration
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 150 ppm/6H/2Y-I
- TOXIC EFFECTS :
- Tumorigenic - neoplastic by RTECS criteria Lungs, Thorax, or Respiration - tumors
MUTATION DATA - TYPE OF TEST :
- Mutation in mammalian somatic cells
- TEST SYSTEM :
- Rodent - mouse Lymphocyte
- DOSE/DURATION :
- 75900 nmol/L
- REFERENCE :
- EMMUEG Environmental and Molecular Mutagenesis. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.10- 1987- Volume(issue)/page/year: 14,115,1989 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X4720 No. of Facilities: 13 (estimated) No. of Industries: 1 No. of Occupations: 4 No. of Employees: 290 (estimated) No. of Female Employees: 13 (estimated)
- TYPE OF TEST :
- Mutation in mammalian somatic cells
- TEST SYSTEM :
- Rodent - mouse Lymphocyte
- DOSE/DURATION :
- 75900 nmol/L
- REFERENCE :
- EMMUEG Environmental and Molecular Mutagenesis. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.10- 1987- Volume(issue)/page/year: 14,115,1989 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X4720 No. of Facilities: 13 (estimated) No. of Industries: 1 No. of Occupations: 4 No. of Employees: 290 (estimated) No. of Female Employees: 13 (estimated)
Safety Information
| Symbol | GHS02, GHS07, GHS08 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H225-H302-H332-H341-H350 |
| Precautionary Statements | P201-P210-P281-P308 + P313 |
| Personal Protective Equipment | Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Hazard Codes | F:Flammable |
| Risk Phrases | R11;R20/22;R45;R68 |
| Safety Phrases | S53-S45 |
| RIDADR | UN 2351 3/PG 2 |
| WGK Germany | 3 |
| RTECS | RA0805000 |
| Packaging Group | II |
| Hazard Class | 3 |
| HS Code | 2920909090 |
Customs
| HS Code | 2920909090 |
|---|---|
| Summary | 2920909090 esters of other inorganic acids of non-metals (excluding esters of hydrogen halides) and their salts; their halogenated, sulphonated, nitrated or nitrosated derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0% |
Articles29
More Articles| Vascular and hemodynamic differences between organic nitrates and nitrites. J. Pharmacol. Exp. Ther. 280(1) , 326-31, (1997) Because nitroglycerin (NTG, an organic nitrate) and isoamyl nitrite have similar chemical structures and a common mechanism of vascular relaxation (i.e., conversion to nitric oxide in vascular tissues... | |
| Vibrational analysis of n-butyl, isobutyl, sec-butyl and tert-butyl nitrite. Spectrochim. Acta. A. Mol. Biomol. Spectrosc. 67(1) , 178-87, (2007) Raman and infrared spectra of n-butyl, isobutyl, sec-butyl and tert-butyl nitrite are reported. Density functional theory and Møeller-Plesset calculations with 6-31G* and 6-311G* basis sets were used ... | |
| Inflammatory macrophage nuclear factor-kappaB and proteasome activity are inhibited following exposure to inhaled isobutyl nitrite. J. Leukoc. Biol. 69(4) , 639-44, (2001) A history of abuse of nitrite inhalants has been correlated with HIV seropositivity and Kaposi's sarcoma. A series of 14 daily, 45-min exposures of mice to 900-ppm isobutyl nitrite in an inhalation ch... |
Synonyms
| EINECS 208-819-7 |
| 2-methylpropyl nitrite |
| Isobutylnitrite |
| Isobutyl nitrite |
| MFCD00002056 |
| Nitrous acid, 2-methylpropyl ester |
