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110-46-3

Basic Information
CAS No.: 110-46-3
Name: Isoamyl nitrite
Molecular Structure:
Molecular Structure of 110-46-3 (Isoamyl nitrite)
Formula: C5H11NO2
Molecular Weight: 117.17
Synonyms: Isopentylalcohol, nitrite (8CI);3-Methylbutanol nitrite;3-Methylbutyl nitrite;Amylnitrite;Aspiral;NSC 7903;Nitramyl;Nitrous acid, isopentyl ester;Pentyl nitrite;Vaporole;
EINECS: 203-770-8
Density: 0.98 g/cm3
Melting Point:
Boiling Point: 99.1 °C at 760 mmHg
Flash Point: 10 °C
Solubility: water: <0.01 g/100 mL at 18 °C
Appearance: yellow liquid
Hazard Symbols: FlammableF,HarmfulXn
Risk Codes: 11-20/22
Safety: 16-24-46
Transport Information: UN 1113 3/PG 2
PSA: 38.66000
LogP: 1.73050
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Chemistry

Product Name: Isoamyl nitrite (CAS NO.110-46-3)

Molecular Formula: C5H11NO2
Molecular Weight: 117.15g/mol
Mol File: 110-46-3.mol
EINECS: 203-770-8
Boiling point: 99.1 °C at 760 mmHg
Storage Temperature: 2-8°C
Flash Point: 10 °C
Density: 0.98 g/cm3
Refractive index: n20/D 1.386(lit.)
Sensitive: Air & Light Sensitive
Stability: Stability Unstable. Air and light sensitive. Flammable. Forms explosive mixtures with air or oxygen. Incompatible with oxidizing agents, reducing agents.
Index of Refraction: 1.424 
Molar Refractivity: 30.5 cm3 
Molar Volume: 119.4 cm
Surface Tension: 28.9 dyne/cm
Enthalpy of Vaporization: 32.45 kJ/mol
Vapour Pressure:  44.6 mmHg at 25°C
XLogP3-AA: 1.7
H-Bond Donor: 0
H-Bond Acceptor: 3
Structure Descriptors of Isoamyl nitrite (CAS NO.110-46-3):
  IUPAC Name: 3-methylbutyl nitrite
  Canonical SMILES: CC(C)CCON=O
  InChI: InChI=1S/C5H11NO2/c1-5(2)3-4-8-6-7/h5H,3-4H2,1-2H3 
  InChIKey: OWFXIOWLTKNBAP-UHFFFAOYSA-N
Product Categories: Organics

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo subcutaneous 250uL/kg (0.25mL/kg)   Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 9, Pg. 759, 1967.
dog LDLo intravenous 167mg/kg (167mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Research Communications in Chemical Pathology and Pharmacology. Vol. 5, Pg. 889, 1973.
mouse LC50 inhalation 1430ppm/30M (1430ppm) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) Neurobehavioral Toxicology and Teratology. Vol. 8, Pg. 139, 1986.
mouse LD50 intraperitoneal 130mg/kg (130mg/kg)   Research Communications in Chemical Pathology and Pharmacology. Vol. 5, Pg. 889, 1973.
mouse LD50 intravenous 51mg/kg (51mg/kg)   Research Communications in Chemical Pathology and Pharmacology. Vol. 5, Pg. 889, 1973.
mouse LD50 oral 852mg/kg (852mg/kg)   Weisheng Dulixue Zazhi. Journal of Health Toxicology. Vol. 5, Pg. 119, 1991.
rat LC50 inhalation 716ppm/4H (716ppm) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: EXCITEMENT

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
Fundamental and Applied Toxicology. Vol. 8, Pg. 101, 1987.
rat LD50 oral 505mg/kg (505mg/kg) BEHAVIORAL: GENERAL ANESTHETIC Federation Proceedings, Federation of American Societies for Experimental Biology. Vol. 41, Pg. 1583, 1982.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Poison by intravenous and intraperitoneal routes. Moderately toxic by ingestion. Mildly toxic by inhalation. Mutation data reported. A recreational drug said to enhance sexual enjoyment in humans by inhalation. Dangerous fire hazard when exposed to spark, heat, oxidizers, or flame. Forms an explosive mixture in air or O2. Vapors will explode when heated. When heated to decomposition it emits toxic fumes of NOx. See also NITRITES.
Hazard Codes: FFlammable,XnHarmful
Risk Statements: 11-20/22 
R11: Highly flammable. 
R20/22: Harmful by inhalation and if swallowed.
Safety Statements: 16-24-46 
S16: Keep away from sources of ignition. 
S24: Avoid contact with skin. 
S46: If swallowed, seek medical advice immediately and show this container or label.
RIDADR: UN 1113 3/PG 2
WGK Germany: 1
RTECS: NT0187500
F: 1-8-9
HazardClass: 3
PackingGroup: II

Specification

 Isoamyl nitrite , its CAS NO. is 110-46-3, the synonyms are 3-Methylbutanol nitrite ; Amilnitrite ; Aspiral ; Nitrous acid, 3-methylbutyl ester ; Nitrous acid, isopentyl ester ; Pentanoli nitris ; Vaporole .