Isobutyl nitrite
Names
[ CAS No. ]:
542-56-3
[ Name ]:
Isobutyl nitrite
[Synonym ]:
EINECS 208-819-7
2-methylpropyl nitrite
Isobutylnitrite
Isobutyl nitrite
MFCD00002056
Nitrous acid, 2-methylpropyl ester
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
[ 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)
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- RA0805000
- CHEMICAL NAME :
- Nitrous acid, isobutyl ester
- CAS REGISTRY NUMBER :
- 542-56-3
- BEILSTEIN REFERENCE NO. :
- 1699518
- LAST UPDATED :
- 199709
- DATA ITEMS CITED :
- 21
- MOLECULAR FORMULA :
- C4-H9-N-O2
- MOLECULAR WEIGHT :
- 103.14
- WISWESSER LINE NOTATION :
- ONO1Y1&1
HEALTH HAZARD DATA
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)
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
Synthetic Route
Precursor & DownStream
Precursor
DownStream
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%
Articles
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...