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Isoamyl nitrite
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Name

Isoamyl nitrite

 EINECS 203-770-8
CAS No. 110-46-3 Density 0.98 g/cm3
PSA 38.66000 LogP 1.73050
Solubility water: <0.01 g/100 mL at 18 °C Melting Point N/A
Formula C5H11NO2 Boiling Point 99.1 °C at 760 mmHg
Molecular Weight 117.148 Flash Point 10 °C
Transport Information UN 1113 3/PG 2 Appearance yellow liquid
Safety 16-24-46 Risk Codes 11-20/22
Molecular Structure Molecular Structure of 110-46-3 (Isoamyl nitrite) Hazard Symbols FlammableF,HarmfulXn
Synonyms

Isopentylalcohol, nitrite (8CI);3-Methylbutanol nitrite;3-Methylbutyl nitrite;Amylnitrite;Aspiral;NSC 7903;Nitramyl;Nitrous acid, isopentyl ester;Pentyl nitrite;Vaporole;

Article Data 33

Isoamyl nitrite Synthetic route

123-51-3

i-Amyl alcohol

110-46-3

isopentyl nitrite

Conditions
ConditionsYield
With hydrogenchloride; sodium nitrite In water at 0℃; for 0.0555556h; Temperature; Large scale;96%
With hydrogenchloride; sodium nitrite In water at 0℃; for 0.0555556h; Temperature; Flow reactor;94%
With nitrogen(II) oxide; potassium hydroxide at 3℃;92.3%
624-91-9

methyl nitrite

123-51-3

i-Amyl alcohol

A

67-56-1

methanol

B

110-46-3

isopentyl nitrite

Conditions
ConditionsYield
In acetonitrile at 25℃; Equilibrium constant;
122-73-6

((isopentyloxy)methyl)benzene

A

100-52-7

benzaldehyde

B

110-46-3

isopentyl nitrite

Conditions
ConditionsYield
With zinc(II) nitrate; silica gel In 2,2,4-trimethylpentane for 1h; Heating;A 84 % Chromat.
B 23 % Chromat.
107-82-4

i-pentyl bromide

silver nitrite

silver nitrite

A

627-67-8

1-nitro-3-methylbutane

B

110-46-3

isopentyl nitrite

isopentyl sulfate potassium

isopentyl sulfate potassium

110-46-3

isopentyl nitrite

Conditions
ConditionsYield
With nitric acid bei der Destillation;
123-51-3

i-Amyl alcohol

nitrosyl tetrafluoroborate

nitrosyl tetrafluoroborate

110-46-3

isopentyl nitrite

Conditions
ConditionsYield
With sodium carbonate at -10℃;
potassium isopentyl sulfate

potassium isopentyl sulfate

110-46-3

isopentyl nitrite

Conditions
ConditionsYield
With alkali nitrite
With alkaline earth nitrite
123-51-3

i-Amyl alcohol

7782-77-6

cis-nitrous acid

110-46-3

isopentyl nitrite

112175-39-0

1,3-dihydro-1-methyl-5-phenyl-2H-pyrido<3,4-e>-1,4-diazepin-2-one

110-46-3

isopentyl nitrite

2,3-dihydro-3-hydroxyimino-1-methyl-5-phenyl-1H-pyrido[3,4-e]-1,4-diazepine-2-one

Conditions
ConditionsYield
With acetic acid In water; ethyl acetate; toluene100%
With acetic acid In water; ethyl acetate; toluene100%
With acetic acid In water; ethyl acetate; toluene100%
With acetic acid In water; ethyl acetate; toluene100%
847926-44-7

5-(4-methoxybenzyl)-5H-dibenzo[b,d]azepin-6(7H)-one

110-46-3

isopentyl nitrite

847926-87-8

5-(4-methoxybenzyl)-5H-dibenzo[b,d]azepine-6,7-dione-7-oxime

Conditions
ConditionsYield
With potassium tert-butylate In tetrahydrofuran at 0℃; for 1.91667h;100%

Isoamyl nitrite Chemical Properties

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 cm3 
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

Isoamyl nitrite 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.

Isoamyl nitrite Consensus Reports

Reported in EPA TSCA Inventory.

Isoamyl nitrite 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

Isoamyl nitrite 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 .

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