Isoamyl nitrite supplier | CasNO.110-46-3

Name
Isoamyl nitrite
EINECS 203-770-8
CAS No. 110-46-3
Article Data33
CAS DataBase
Density 0.98 g/cm³
Solubility water: <0.01 g/100 mL at 18 °C
Melting Point
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
Hazard Symbols F,Xn
Synonyms Isopentylalcohol, nitrite (8CI);3-Methylbutanol nitrite;3-Methylbutyl nitrite;Amylnitrite;Aspiral;NSC 7903;Nitramyl;Nitrous acid, isopentyl ester;Pentyl nitrite;Vaporole;
PSA 38.66000
LogP 1.73050

Synthetic route

: 123-51-3
i-Amyl alcohol

: 110-46-3
isopentyl nitrite

Conditions

Conditions	Yield
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

Conditions	Yield
In acetonitrile at 25℃; Equilibrium constant;

...Expand

: 122-73-6
((isopentyloxy)methyl)benzene

A: 100-52-7
benzaldehyde

B: 110-46-3
isopentyl nitrite

Conditions

Conditions	Yield
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

...Expand

isopentyl sulfate potassium: isopentyl sulfate potassium

: 110-46-3
isopentyl nitrite

Conditions

Conditions	Yield
With nitric acid bei der Destillation;

: 123-51-3
i-Amyl alcohol

nitrosyl tetrafluoroborate: nitrosyl tetrafluoroborate

: 110-46-3
isopentyl nitrite

Conditions

Conditions	Yield
With sodium carbonate at -10℃;

potassium isopentyl sulfate: potassium isopentyl sulfate

: 110-46-3
isopentyl nitrite

Conditions

Conditions	Yield
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

Conditions	Yield
With acetic acid In water; ethyl acetate; toluene	100%
With acetic acid In water; ethyl acetate; toluene	100%
With acetic acid In water; ethyl acetate; toluene	100%
With acetic acid In water; ethyl acetate; toluene	100%

: 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

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

: 635-46-1
1,2,3,4-tetrahydroisoquinoline

: 110-46-3
isopentyl nitrite

: 5825-44-5
N-nitroso-1,2,3,4-tetrahydroquinoline

Conditions

Conditions	Yield
With 4-(1,1-dimethylethyl)benzoic acid In dichloromethane at 20℃; for 24h; Inert atmosphere; Schlenk technique; Glovebox;	100%

: 110-46-3
isopentyl nitrite

: 590-86-3
isovaleraldehyde

Conditions

Conditions	Yield
With iron(III) chloride; 1,1,1,3',3',3'-hexafluoro-propanol at 20℃; for 20h; Catalytic behavior; Time; Inert atmosphere;	99%
With boron trifluoride diethyl etherate In diethyl ether for 4h; Ambient temperature;	91%
With dimethyl sulfoxide at 70℃; for 6h;	90.78%

: 1005420-89-2
3-(4-aminophenyl)prop-2-ynenitrile

: 110-46-3
isopentyl nitrite

: 3-(4-azidophenyl)prop-2-ynenitrile

Conditions

Conditions	Yield
With trimethylsilylazide In ethyl acetate; acetonitrile	99%

: 169776-89-0
2-[(4R)-4,5-dihydro-4-phenyl-1,3-oxazolin-2-yl]benzenamine

: 110-46-3
isopentyl nitrite

: 3-((R)-2-hydroxy-1-phenylethyl)-1,2,3-benzotriazin-4(3H)-one

Conditions

Conditions	Yield
In methanol at 20℃;	99%

: 2-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]aniline

: 110-46-3
isopentyl nitrite

: 3-((R)-1-hydroxybutan-2-yl)-1,2,3-benzotriazin-4(3H)-one

Conditions

Conditions	Yield
In methanol at 20℃;	99%

: 3416-93-1
2-(4,5-Dihydro-1,3-oxazol-2-yl)aniline

: 110-46-3
isopentyl nitrite

: 72553-67-4
3-(2-hydroxyethyl)benzo[d][1,2,3]triazin-4(3H)-one

Conditions

Conditions	Yield
In methanol at 20℃;	99%

: 30235-27-9
4-(pyridin-3-yl)thiazol-2-amine

: 110-46-3
isopentyl nitrite

: 5-nitroso-4-(pyridin-3-yl)thiazol-2-amine

Conditions

Conditions	Yield
With hydrogenchloride In ethanol at 0 - 5℃; for 2.66667h;	98%

: 875-51-4
4-Bromo-2-nitroaniline

: 110-46-3
isopentyl nitrite

: 345635-46-3
4-bromo-1-methylsulfanyl-2-nitro-benzene

Conditions

Conditions	Yield
In Dimethyldisulphide; ethyl acetate	97%

: 220178-63-2
3-(acetoxymethyl)-6-methyl-N-(acetyl)aniline

: 110-46-3
isopentyl nitrite

: 368426-62-4
1-acetyl-6-(acetoxymethyl)indazole

Conditions

Conditions	Yield
With potassium acetate; acetic anhydride In chloroform; water	95%

: methyl 3-amino-2-(t-butylaminosulfonylmethyl)benzoate

: 110-46-3
isopentyl nitrite

: methyl 3-(t-butylaminosulfonyl)-1H-indazole-4-carboxylate

Conditions

Conditions	Yield
With hydrogenchloride; potassium acetate; acetic anhydride In methanol; water; benzene	94.1%

: 583-75-5
4-Bromo-2-methylaniline

: 110-46-3
isopentyl nitrite

: 53857-57-1
5-bromo-1H-indazole

Conditions

Conditions	Yield
With hydrogenchloride; sodium hydroxide; potassium acetate; acetic anhydride In n-heptane; chloroform; water; ethyl acetate	94%

: 7647-01-0
hydrogenchloride

: dicarbonyl(η5-carboxycyclopentadienyl)nitrosylchromium

: 110-46-3
isopentyl nitrite

: 1007395-47-2
(η5-carboxycyclopentadienyl)chlorodinitrosylchromium

Conditions

Conditions	Yield
In isopropyl alcohol (N2); Schlenk technique; HCl was bubbled through soln. of Cr complex in isopropanol for 10 min; cooled to 0-10°C; nitrite was slowly added; stirred for 40 min; solvent removed (vac.); washed (H2O); dried (vac.); recrystd. (hexane/THF, 5/2, 0°C, 48 h); elem. anal.;	94%

...Expand

: 1309569-21-8
tert-butyl [2-amino-5-(pentafluoro-λ6-sulfanyl)phenyl]acetate

: 108-24-7
acetic anhydride

: 110-46-3
isopentyl nitrite

: tert-butyl 1-acetyl-5-(pentafluorosulfanyl)-1H-indazole-3-carboxylate

Conditions

Conditions	Yield
Stage #1: tert-butyl [2-amino-5-(pentafluoro-λ6-sulfanyl)phenyl]acetate; acetic anhydride With potassium acetate In toluene at 0 - 20℃; for 0.5h; Stage #2: isopentyl nitrite In toluene at 80℃; for 12h;	94%

...Expand

: 110-71-4
1,2-dimethoxyethane

: 42933-07-3
methyl 3-bromo-2-oxo-2H-pyran-5-carboxylate

: 118-92-3
anthranilic acid

: 110-46-3
isopentyl nitrite

: 5043-29-8
methyl 1-bromo-3-naphthoate

Conditions

Conditions	Yield
trichloroacetic acid In toluene for 4h;	93%

...Expand

: 109-63-7
boron trifluoride diethyl etherate

: 367-30-6
2,5-difluoroaniline

: 110-46-3
isopentyl nitrite

: 2,5-difluorobenzenediazonium tetrafluoroborate

Conditions

Conditions	Yield
In tetrahydrofuran at 0℃; Inert atmosphere;	92%

...Expand

: 462-34-0
boron trifluoride-tetrahydrofuran complex

: 104-94-9
4-methoxy-aniline

: 110-46-3
isopentyl nitrite

: 459-64-3
4-methoxybenzenediazonium tetrafluoroborate

Conditions

Conditions	Yield
Stage #1: boron trifluoride-tetrahydrofuran complex; 4-methoxy-aniline In tetrahydrofuran at 0℃; for 0.0833333h; Stage #2: isopentyl nitrite In tetrahydrofuran at 0℃; for 0.25h;	92%

...Expand

: 76-84-6
triphenylmethyl alcohol

: 6303-21-5
hypophosphorous acid

: 110-46-3
isopentyl nitrite

: 630-76-2
tetraphenylmethane

Conditions

Conditions	Yield
With concentrated aqueous hydrochloric acid; sulfuric acid; aniline In ethanol; acetic acid	90%

...Expand

: (η5-benzoylcyclopentadienyl)dicarbonylnitrosylchromium

: 10035-10-6, 12258-64-9
hydrogen bromide

: 110-46-3
isopentyl nitrite

: (η5-benzoylcyclopentadienyl)bromidodinitrosylchromium(0)

Conditions

Conditions	Yield
In isopropyl alcohol byproducts: CO; (under N2, Schlenk); HBr bubbled through soln. of Cr-complex in isopropanol for 5 min, cooled to 0-10°C with stirring for 15 min, isoamylnitrite added slowly, stirred for 1 h; solvent removed, extd. with CH2Cl2, extract washed with H2O, dried with MgSO4, filtered, concd., dissolved in CH2Cl2, silica gel added, solvent removed under vac., residue added to silica gel column, eluted with hexane/ether (3:1); elem. anal.;	90%
In isopropyl alcohol byproducts: CO; HBr bubbled through a Cr-compd. in 2-propanol for 5 min, cooled to 273-283 K with stirring for 20 min, isoamyl nitrite added slowly, stirred for 1 h; concentrated, CH2Cl2 added, filtered, washed with H2O, dried in vac.;	90%

Yield

In isopropyl alcohol byproducts: CO; (under N2, Schlenk); HBr bubbled through soln. of Cr-complex in isopropanol for 5 min, cooled to 0-10°C with stirring for 15 min, isoamylnitrite added slowly, stirred for 1 h; solvent removed, extd. with CH2Cl2, extract washed with H2O, dried with MgSO4, filtered, concd., dissolved in CH2Cl2, silica gel added, solvent removed under vac., residue added to silica gel column, eluted with hexane/ether (3:1); elem. anal.;

90%

In isopropyl alcohol byproducts: CO; HBr bubbled through a Cr-compd. in 2-propanol for 5 min, cooled to 273-283 K with stirring for 20 min, isoamyl nitrite added slowly, stirred for 1 h; concentrated, CH2Cl2 added, filtered, washed with H2O, dried in vac.;

90%

...Expand

: 75-77-4
chloro-trimethyl-silane

: 319432-08-1
2-[bis-(5-ethyl-furan-2-yl)-methyl]-4,5-dimethoxy-phenylamine

: 110-46-3
isopentyl nitrite

: (Z)-1-[4-(5-ethyl-2-furyl)-6,7-dimethoxy-3-cinnolinyl]-1-penten-3-one

Conditions

Conditions	Yield
In acetonitrile for 0.25h; Diazotisation;	89%

...Expand

hydrochloric acid-dioxane: hydrochloric acid-dioxane

: 24623-20-9
2,3-dihydro-6-methyl-1H-inden-1-one

: 110-46-3
isopentyl nitrite

: 6-methyl-1H-inden-1,2(3H)-dione 2-oxime

Conditions

Conditions	Yield
In ethanol	89%

...Expand

: 75-15-0
carbon disulfide

: 2941-78-8
2-Amino-5-methylbenzoic acid

: 110-46-3
isopentyl nitrite

: 67855-55-4
5-methyl-2-(3-methylbutoxy)-1,3-benzodithiole

Conditions

Conditions	Yield
In 1,4-dioxane; i-Amyl alcohol; dichloromethane at 20 - 82℃; for 1.75h;	88%

...Expand

: 7647-01-0
hydrogenchloride

: 1123299-11-5
(η5-ethylcyclopentadienyl)dicarbonylnitrosylchromium

: 110-46-3
isopentyl nitrite

: chloro(η5-ethylcyclopentadienyl)dinitrosylchromium

Conditions

Conditions	Yield
Stage #1: hydrogenchloride; (η5-ethylcyclopentadienyl)dicarbonylnitrosylchromium In water; isopropyl alcohol at 0℃; for 0.166667h; Inert atmosphere; Schlenk technique; Stage #2: isopentyl nitrite In water; isopropyl alcohol at 0 - 10℃; for 0.5h; Inert atmosphere; Schlenk technique;	87.8%

...Expand

: 7647-01-0
hydrogenchloride

: (η5-benzoylcyclopentadienyl)dicarbonylnitrosylchromium

: 110-46-3
isopentyl nitrite

: (η5-benzoylcyclopentadienyl)chlorodinitrosylchromium

Conditions

Conditions	Yield
Stage #1: hydrogenchloride; (η5-benzoylcyclopentadienyl)dicarbonylnitrosylchromium In isopropyl alcohol for 0.25h; Inert atmosphere; Schlenk technique; Stage #2: isopentyl nitrite In isopropyl alcohol at 0 - 10℃; for 0.5h; Inert atmosphere; Schlenk technique;	87.5%

...Expand

: 75-77-4
chloro-trimethyl-silane

: 319432-10-5
7-[bis-(5-ethyl-furan-2-yl)-methyl]-2,3-dihydro-benzo[1,4]dioxin-6-ylamine

: 110-46-3
isopentyl nitrite

: (Z)-1-[4-(5-ethyl-2-furyl)-7,8-dihydro[1,4]dioxino[2,3-g]cinnolin-3-yl]-1-penten-3-one

Conditions

Conditions	Yield
In acetonitrile for 0.25h; Diazotisation;	87%

...Expand

: 445-02-3
4-bromo-2-trifluoromethyl-aniline

: 110-46-3
isopentyl nitrite

: 300356-31-4
(4-bromo-2-(trifluoromethyl)phenyl)(methyl)sulfane

Conditions

Conditions	Yield
In Dimethyldisulphide; ethyl acetate	87%

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 NO_x. See also NITRITES.
Hazard Codes: F,Xn Harmful
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 .

Product Name

Isoamyl nitrite

Synthetic route

Isoamyl nitrite Chemical Properties

Isoamyl nitrite Toxicity Data With Reference

Isoamyl nitrite Consensus Reports

Isoamyl nitrite Safety Profile

Isoamyl nitrite Specification

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