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Benzyl isoamyl ether

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Name

Benzyl isoamyl ether

EINECS 204-570-3
CAS No. 122-73-6 Density 0.914g/cm3
PSA 9.23000 LogP 3.24930
Solubility N/A 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 N/A Appearance N/A
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 Molecular Structure of 122-73-6 (BENZYL ISOAMYL ETHER) Hazard Symbols Xn
Synonyms

Ether,benzyl isopentyl (6CI,7CI,8CI); Benzyl isoamyl ether; Benzyl isopentyl ether;Isoamyl benzyl ether; NSC 9294

Article Data 10

Benzyl isoamyl ether Synthetic route

58558-53-5

(((3-methylbut-3-en-1-yl)oxy)methyl)benzene

122-73-6

((isopentyloxy)methyl)benzene

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
With boron trifluoride diethyl etherate In 1,2-dichloro-ethane 0 deg C to RT;A 58%
B 32%
C 10%
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
ConditionsYield
With sulfuric acid at 125℃;
With sodium pyrosulfate
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
ConditionsYield
With monoaluminum phosphate at 300℃; Yield given. Yields of byproduct given;
123-51-3

i-Amyl alcohol

122-73-6

((isopentyloxy)methyl)benzene

Conditions
ConditionsYield
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
ConditionsYield
With diethyl ether
123-51-3

i-Amyl alcohol

100-44-7

benzyl chloride

122-73-6

((isopentyloxy)methyl)benzene

Conditions
ConditionsYield
With potassium hydroxide
100-44-7

benzyl chloride

19533-24-5

sodium isopentoxide

122-73-6

((isopentyloxy)methyl)benzene

Conditions
ConditionsYield
With i-Amyl alcohol

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

1.    

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

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