Isobutyl nitrite

[ 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)

Click to get detail MSDS

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)

[ 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

Click to get detail synthetic route

Precursor

DownStream

[ 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%

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...

Names

Chemical & Physical Properties

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Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

Safety Information

Synthetic Route

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Precursor & DownStream

Precursor

DownStream

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