Benzyl isoamyl ether supplier

Name
BENZYL ISOAMYL ETHER
EINECS 204-570-3
CAS No. 122-73-6
Article Data10
CAS DataBase
Density 0.914g/cm³
Solubility
Melting Point 0.914 g/cm³
Formula C12H18 O
Boiling Point 230.1 °C at 760 mmHg
Molecular Weight 178.274
Flash Point 93.7 °C
Transport Information
Appearance
Safety A skin irritant. See also ETHERS. Flammable when exposed to heat or flame; can react with oxidizing materials. To fight fire, use foam, CO₂, dry chemical.
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms Ether,benzyl isopentyl (6CI,7CI,8CI); Benzyl isoamyl ether; Benzyl isopentyl ether;Isoamyl benzyl ether; NSC 9294
PSA 9.23000
LogP 3.24930

Synthetic route

: 58558-53-5
(((3-methylbut-3-en-1-yl)oxy)methyl)benzene

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

Conditions

Conditions	Yield
With sodium tetrahydroborate; Hoveyda-Grubbs catalyst second generation In methanol; 1,2-dichloro-ethane for 18h; Inert atmosphere;	80%

: 590-86-3
isovaleraldehyde

: 100-51-6
benzyl alcohol

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

Conditions

Conditions	Yield
With hydrogenchloride; methylphenylsilane; 1,3-bis(4-cyano-3,5-bis(trifluoromethyl)phenyl)thiourea In 1,4-dioxane; dichloromethane at 20℃; for 2h; Molecular sieve;	89%

: 763-32-6
2-methyl-1-buten-4-ol

: 100-44-7
benzyl chloride

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

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: sodium hydride / N,N-dimethyl-formamide / 0.17 h / Inert atmosphere 1.2: 1 h / Inert atmosphere 2.1: Hoveyda-Grubbs catalyst second generation; sodium tetrahydroborate / 1,2-dichloro-ethane; methanol / 18 h / Inert atmosphere View Scheme

: 94231-95-5
benzaldehyde di(neopentyl) acetal

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

B: 1755-43-7
α-isopropylcinnamaldehyde

C: 100-52-7
benzaldehyde

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate In 1,2-dichloro-ethane 0 deg C to RT;	A 58% B 32% C 10%

...Expand

: 123-51-3
i-Amyl alcohol

: 100-51-6
benzyl alcohol

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

B diisopentyl ether ; dibenzyl ether: diisopentyl ether ; dibenzyl ether

Conditions

Conditions	Yield
With sulfuric acid at 125℃;
With sodium pyrosulfate

...Expand

: 94231-95-5
benzaldehyde di(neopentyl) acetal

A: 94-46-2
isoamyl benzoate

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

C: 100-52-7
benzaldehyde

Conditions

Conditions	Yield
With monoaluminum phosphate at 300℃; Yield given. Yields of byproduct given;

...Expand

: 123-51-3
i-Amyl alcohol

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

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: HCl 2: diethyl ether View Scheme

: 41965-70-2
1-chloromethoxy-3-methyl-butane

: phenylmagnesium bromide

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

Conditions

Conditions	Yield
With diethyl ether

: 123-51-3
i-Amyl alcohol

: 100-44-7
benzyl chloride

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

Conditions

Conditions	Yield
With potassium hydroxide

: 100-44-7
benzyl chloride

: 19533-24-5
sodium isopentoxide

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

Conditions

Conditions	Yield
With i-Amyl alcohol

: 94231-95-5
benzaldehyde di(neopentyl) acetal

A: 94-46-2
isoamyl benzoate

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

C: 103-38-8
benzyl isovalerate

D: 75101-96-1
α-isopropyl cinnamaldehyde

E: 100-52-7
benzaldehyde

F: 100-51-6
benzyl alcohol

Conditions

Conditions	Yield
With antimonypentachloride In 1,2-dichloro-ethane at 30℃; for 0.5h; Product distribution; Mechanism; action of Lewis acids, ferric chloride also used;

...Expand

: 123-51-3
i-Amyl alcohol

: 100-51-6
benzyl alcohol

sulfuric acid dihydrate: sulfuric acid dihydrate

A: 544-01-4
isopentyl ether

B: 103-50-4
dibenzyl ether

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

...Expand

: 590-86-3
isovaleraldehyde

: 100-51-6
benzyl alcohol

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

Conditions

Conditions	Yield
With hydrogenchloride; methylphenylsilane; 1,3-bis(4-cyano-3,5-bis(trifluoromethyl)phenyl)thiourea In 1,4-dioxane; dichloromethane at 20℃; for 2h; Molecular sieve;	89%

: 58558-53-5
(((3-methylbut-3-en-1-yl)oxy)methyl)benzene

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

Conditions

Conditions	Yield
With sodium tetrahydroborate; Hoveyda-Grubbs catalyst second generation In methanol; 1,2-dichloro-ethane for 18h; Inert atmosphere;	80%

: 94231-95-5
benzaldehyde di(neopentyl) acetal

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

B: 1755-43-7
α-isopropylcinnamaldehyde

C: 100-52-7
benzaldehyde

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate In 1,2-dichloro-ethane 0 deg C to RT;	A 58% B 32% C 10%

...Expand

: 41965-70-2
1-chloromethoxy-3-methyl-butane

: phenylmagnesium bromide

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

Conditions

Conditions	Yield
With diethyl ether

: 123-51-3
i-Amyl alcohol

: 100-44-7
benzyl chloride

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

Conditions

Conditions	Yield
With potassium hydroxide

: 100-44-7
benzyl chloride

: 19533-24-5
sodium isopentoxide

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

Conditions

Conditions	Yield
With i-Amyl alcohol

: 94231-95-5
benzaldehyde di(neopentyl) acetal

A: 94-46-2
isoamyl benzoate

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

C: 100-52-7
benzaldehyde

Conditions

Conditions	Yield
With monoaluminum phosphate at 300℃; Yield given. Yields of byproduct given;

...Expand

: 94231-95-5
benzaldehyde di(neopentyl) acetal

A: 94-46-2
isoamyl benzoate

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

C: 103-38-8
benzyl isovalerate

D: 75101-96-1
α-isopropyl cinnamaldehyde

E: 100-52-7
benzaldehyde

F: 100-51-6
benzyl alcohol

Conditions

Conditions	Yield
With antimonypentachloride In 1,2-dichloro-ethane at 30℃; for 0.5h; Product distribution; Mechanism; action of Lewis acids, ferric chloride also used;

...Expand

: 123-51-3
i-Amyl alcohol

: 100-51-6
benzyl alcohol

sulfuric acid dihydrate: sulfuric acid dihydrate

A: 544-01-4
isopentyl ether

B: 103-50-4
dibenzyl ether

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

...Expand

: 123-51-3
i-Amyl alcohol

: 100-51-6
benzyl alcohol

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

B diisopentyl ether ; dibenzyl ether: diisopentyl ether ; dibenzyl ether

Conditions

Conditions	Yield
With sulfuric acid at 125℃;
With sodium pyrosulfate

...Expand

: 123-51-3
i-Amyl alcohol

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

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: HCl 2: diethyl ether View Scheme

: 763-32-6
2-methyl-1-buten-4-ol

: 100-44-7
benzyl chloride

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

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: sodium hydride / N,N-dimethyl-formamide / 0.17 h / Inert atmosphere 1.2: 1 h / Inert atmosphere 2.1: Hoveyda-Grubbs catalyst second generation; sodium tetrahydroborate / 1,2-dichloro-ethane; methanol / 18 h / Inert atmosphere View Scheme

: C22H26OTi

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

Conditions

Conditions	Yield
In tetrahydrofuran; toluene at -10 - 20℃; for 6h; Acidic conditions; Cooling;	46 mg

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

: 948587-77-7
C12H16(2)H2O

Conditions

Conditions	Yield
With hydrogen; water-d2; palladium on activated charcoal; ethylenediamine In tetrahydrofuran at 50℃; for 12h;	93%
With pyridine; hydrogen; water-d2; 5% Pd/C (en) at 50℃; for 12h; Product distribution / selectivity;	89%
With hydrogen; water-d2; triethylamine; 5% Pd/C (en) at 50℃; for 12h; Product distribution / selectivity;	87%

: 67-56-1
methanol

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

: benzaldehyde iso-amyl methyl acetal

Conditions

Conditions	Yield
With palladium 10% on activated carbon; oxygen; N-ethyl-N,N-diisopropylamine at 80℃; for 24h;	75%

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

: 94-46-2
isoamyl benzoate

Conditions

Conditions	Yield
With N-hydroxyphthalimide In pyridine anodic oxidation;	65%

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

: 71-43-2
benzene

: 101-81-5
Diphenylmethane

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

: 71-43-2
benzene

: 793-23-7
1,4-dibenzylbenzene

Conditions

Conditions	Yield
With tin(IV) chloride

: 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.

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

: 7646-78-8
tin(IV) chloride

: 71-43-2
benzene

A: 123-51-3
i-Amyl alcohol

B: 101-81-5
Diphenylmethane

C: 793-23-7
1,4-dibenzylbenzene

Conditions

Conditions	Yield
Behandeln mit Wasser;

...Expand

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

: 7697-37-2
nitric acid

A: 543-87-3
isopentyl nitrate

B: 100-52-7
benzaldehyde

...Expand

: 64-17-5
ethanol

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

hydrogen: hydrogen

palladium/charcoal: palladium/charcoal

A: 123-51-3
i-Amyl alcohol

B: 108-88-3
toluene

...Expand

Benzyl isoamyl ether Chemical Properties

IUPAC Name: 3-Methylbutoxymethylbenzene
Synonyms: (3-Methyl-butoxymethyl)-benzene ; [(3-Methylbutoxy)methyl]-benzen ; [(3-Methylbutoxy)methyl]-benzene ; [(Isopentyloxy)methyl]benzene ; Benzene, [(3-methylbutoxy)methyl]- ; Ether, benzyl isopentyl ; Ether,benzylisopentyl ; Benzyl isopentyl etherr
CAS NO: 122-73-6
Molecular Formula of Benzyl isoamyl ether (CAS NO.122-73-6) : C₁₂H₁₈O
Molecular Weight of Benzyl isoamyl ether (CAS NO.122-73-6) : 178.27
Molecular Structure of Benzyl isoamyl ether (CAS NO.122-73-6) :
EINECS: 204-570-3
Product Categories:
Mol File: 122-73-6.mol
Index of Refraction: 1.486
Surface Tension: 30.9 dyne/cm
Density: 0.914 g/cm³
Flash Point: 93.7 °C
Enthalpy of Vaporization: 44.78 kJ/mol
Boiling Point: 230.1 °C at 760 mmHg
Vapour Pressure: 0.101 mmHg at 25°C

Benzyl isoamyl ether Toxicity Data With Reference

skn-rbt 500 mg/24H MLD

FCTXAV Food and Cosmetics Toxicology. 16 (1978),647.

Benzyl isoamyl ether Consensus Reports

Reported in EPA TSCA Inventory.

Benzyl isoamyl ether Safety Profile

A skin irritant. See also ETHERS. Flammable when exposed to heat or flame; can react with oxidizing materials. To fight fire, use foam, CO₂, dry chemical.
RTECS KM9620000

Benzyl isoamyl ether Specification

Category: Flammable liquids
To stimulate the data: skin - rabbit 500 mg / 24 hours with mild
Explosives, hazardous characteristics: intense reaction with the oxidants
Flammable hazardous characteristics: heat,flammable when open to flame ; burning of stimulating smoke
Storage features: ventilation, low temperature, dry; and stored separately from oxidizing agents
Fire-extinguishing agent: dry powder, foam, carbon dioxide

Product Name

BENZYL ISOAMYL ETHER

Synthetic route

Benzyl isoamyl ether Chemical Properties

Benzyl isoamyl ether Toxicity Data With Reference

Benzyl isoamyl ether Consensus Reports

Benzyl isoamyl ether Safety Profile

Benzyl isoamyl ether Specification

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