n-Amyl formate supplier | CasNO.638-49-3

Name
AMYL FORMATE
EINECS
CAS No. 638-49-3
Article Data28
CAS DataBase
Density 0.884g/mLat 25°C(lit.)
Solubility 2.904g/L(22 oC)
Melting Point -73.5oC
Formula C7H5 Cl3
Boiling Point 132°C(lit.)
Molecular Weight 116.16
Flash Point 83°F
Transport Information
Appearance
Safety Very low toxicity by several routes. A skin irritant. See also ESTERS. Dangerously flammable; reacts vigorously with heat, flame, oxidizing materials. To fight fire, use foam, CO₂, dry chemical.
Risk Codes R10; R36/37
Molecular Structure
Hazard Symbols Xi
Synonyms Toluene, o,a,a-trichloro- (8CI); 1-Chloro-2-(dichloromethyl)benzene;2-Chlorobenzal chloride; 2-Chlorobenzylidene chloride; o,a,a-Trichlorotoluene; o-(Dichloromethyl)chlorobenzene;o-Chlorobenzal chloride; o-Chlorobenzylidene chloride; a,a,2-Trichlorotoluene
PSA 26.30000
LogP 1.98550

Synthetic route

: 71-41-0
pentan-1-ol

: 109-94-4
formic acid ethyl ester

: 638-49-3
n-pentyl formate

Conditions

Conditions	Yield
With K5 for 0.333333h; Heating;	98%
(NH4)8[CeW10O36]*20H2O for 5h; Heating;	85%
With supported 2-(sulfooxy)propane-1,2,3-tricarboxylic acid on silica gel at 20℃; for 3h; Neat (no solvent);	75%

: 543-59-9
1-Chloropentane

: 141-53-7
sodium formate

: 638-49-3
n-pentyl formate

Conditions

Conditions	Yield
tetrabutylammomium bromide at 120℃; for 2h;	94%

: 71-41-0
pentan-1-ol

: 3397-76-0, 100508-13-2
N,N-Dimethylformamide Hydrochloride

A: 543-59-9
1-Chloropentane

B: 638-49-3
n-pentyl formate

Conditions

Conditions	Yield
at 100℃; for 0.833333h;	A n/a B 90%

...Expand

: 71-41-0
pentan-1-ol

: 3397-76-0, 100508-13-2
N,N-Dimethylformamide Hydrochloride

A: 543-59-9
1-Chloropentane

B: 638-49-3
n-pentyl formate

C: 506-59-2
N,N-dimethylammonium chloride

Conditions

Conditions	Yield
at 100℃; for 0.833333h; Product distribution; different alcohols;	A n/a B 90% C n/a

...Expand

: 64-18-6
formic acid

: 71-41-0
pentan-1-ol

: 638-49-3
n-pentyl formate

Conditions

Conditions	Yield
With di-isopropyl ether for 2h; Product distribution; Heating; other prim. and sec. alcohols;	79.6%
With di-isopropyl ether for 2h; Heating;	79.6%
With boron trioxide; toluene-4-sulfonic acid In dichloromethane for 1h; Product distribution; Heating; var. alcohols;	66.3%

: 121393-39-3
5,10,15,20-tetra(2,4,6-trimethylphenyl)porphyrinate rhodium(II)

: 693-65-2
dipentyl ether

: 915085-31-3
(5,10,15,20-tetramesitylporphytinato)butylrhodium(III)

B: 638-49-3
n-pentyl formate

Conditions

Conditions	Yield
With water; tetraphenylphosphonium bromide; triphenylphosphine; potassium hydroxide at 25℃; Inert atmosphere; Darkness; regioselective reaction;	A 79% B 36 %Chromat.

...Expand

: 693-65-2
dipentyl ether

: Rh(5,10,15,20-tetratolylporphyrinate)I

A: 638-49-3
n-pentyl formate

B: Rh(5,10,15,20-tetratolylporphyrinate)Bu

Conditions

Conditions	Yield
With water; tetraphenylphosphonium bromide; potassium hydroxide at 60℃; for 24h; Inert atmosphere; Darkness;	A 76 %Chromat. B 76%

...Expand

: 76908-34-4
2-tert-butylperoxyoxepan

A: 592-90-5
oxepane

B: 502-44-3
hexahydro-2H-oxepin-2-one

C: 638-49-3
n-pentyl formate

D: Formic acid 5-tert-butoxy-pentyl ester

E: 67-64-1
acetone

F: 75-65-0
tert-butyl alcohol

Conditions

Conditions	Yield
In various solvent(s) at 120℃; for 12h; Product distribution; Mechanism;	A n/a B 29% C 10% D 18% E 8% F 64%

...Expand

: m-Nitro-benzolsulfonsaeure-n-pentylester

: 638-49-3
n-pentyl formate

Conditions

Conditions	Yield
With formic acid
With /BRN= 1209246/ Rate constant;

: 16849-82-4
bis(pentyloxy)methane

: 67-66-3
chloroform

: 110-05-4
di-tert-butyl peroxide

A: 110-62-3
pentanal

B: 543-59-9
1-Chloropentane

C: 19416-65-0
1-chloromethoxy-pentane

D: 75-09-2
dichloromethane

E: 638-49-3
n-pentyl formate

F: 75-65-0
tert-butyl alcohol

Conditions

Conditions	Yield
at 130℃; for 1.5h; Product distribution; other concentration of reagents;

...Expand

: 16849-82-4
bis(pentyloxy)methane

A: 71-41-0
pentan-1-ol

B: 638-49-3
n-pentyl formate

Conditions

Conditions	Yield
With ozone In tetrachloromethane at 25℃; Rate constant; k= 1.0 liter/mole.sec;

: 16849-82-4
bis(pentyloxy)methane

A: 638-49-3
n-pentyl formate

B: 75-65-0
tert-butyl alcohol

Conditions

Conditions	Yield
With di-tert-butyl peroxide at 120℃; Product distribution; Rate constant; other temperature, various concentrations of peroxide, in the presence of ethyl orthoformate;
With di-tert-butyl peroxide at 120℃; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

: 71739-39-4
1-methoxymethoxy-pentane

: 110-05-4
di-tert-butyl peroxide

A: 110-62-3
pentanal

B: 628-80-8
1-methoxypentane

C: 107-31-3
Methyl formate

D: 638-49-3
n-pentyl formate

E: 75-65-0
tert-butyl alcohol

F: 109-66-0
pentane

Conditions

Conditions	Yield
at 140℃; Kinetics; Thermodynamic data; Mechanism; other temperature;

...Expand

: 637-42-3
tripentyl orthoformate

: 98-88-4
benzoyl chloride

A: 543-59-9
1-Chloropentane

B: 638-49-3
n-pentyl formate

C pentyl benzoate: pentyl benzoate

...Expand

: 71-41-0
pentan-1-ol

A: 638-49-3
n-pentyl formate

B: 628-63-7
1-pentyl acetate

C: 109-52-4
valeric acid

Conditions

Conditions	Yield
With ozone; titanium(IV) oxide at 80℃; for 2h; Product distribution; Further Variations:; time; UV-irradiation;

...Expand

: 64-18-6
formic acid

: 109-67-1
1-penten

: 123-76-2
levulinic acid

A: 638-49-3
n-pentyl formate

B: 20279-49-6
pentyl 4-oxopentanoate

Conditions

Conditions	Yield
sulfuric acid In 2,2,4-trimethylpentane; water at 75℃; under 5175.52 Torr; for 5h; Conversion of starting material;

...Expand

: 71-41-0
pentan-1-ol

A: 638-49-3
n-pentyl formate

B: 624-54-4
amyl propionate

Conditions

Conditions	Yield
With H5V2Mo10O40*34H2O In sulfolane at 80℃; under 750.075 Torr; for 5h; Reactivity; Inert atmosphere;

: 66-25-1
hexanal

: 638-49-3
n-pentyl formate

Conditions

Conditions	Yield
With D-glucose; glucose dehydrogenase from B. megaterium; nicotinamide adenine dinucleotide phosphate; Baeyer–Villiger monooxygenase AFL838 from Aspergillus flavus In methanol at 20℃; pH=8; Enzymatic reaction; regioselective reaction;

: 66-25-1
hexanal

A: 638-49-3
n-pentyl formate

B: 142-62-1
hexanoic acid

Conditions

Conditions	Yield
With water; difluoro[4-(trifluoromethyl)phenyl]-λ3-bromane In dichloromethane at 0℃; for 1h; Baeyer-Villiger type oxidation; Inert atmosphere;	A 85 %Chromat. B 5 %Chromat.

: tetrafluoroboric acid

: 71-41-0
pentan-1-ol

: 18296-01-0
triethylsilyl formate

A: 358-43-0
triethylsilyl fluoride

B: 638-49-3
n-pentyl formate

Conditions

Conditions	Yield
With sodium sulfate at 80℃; for 1h; Schlenk technique; Inert atmosphere; Glovebox;	A n/a B 84 %Chromat.

...Expand

: 638-49-3
n-pentyl formate

: 456-22-4
4-Fluorobenzoic acid

: 1693-07-8
pentyl 4-fluorobenzoate

Conditions

Conditions	Yield
With tert.-butylhydroperoxide; copper(II) bis(trifluoromethanesulfonate) In 1,2-dichloro-ethane at 130℃; for 12h; Sealed tube;	95%

: 638-49-3
n-pentyl formate

: 74-11-3
para-chlorobenzoic acid

: n-pentyl 4-chlorobenzoate

Conditions

Conditions	Yield
With tert.-butylhydroperoxide; copper(II) bis(trifluoromethanesulfonate) In 1,2-dichloro-ethane at 130℃; for 12h; Sealed tube;	95%

: 638-49-3
n-pentyl formate

: 445-29-4
o-fluoro-benzoic acid

: 959044-88-3
pentyl 2-fluorobenzoate

Conditions

Conditions	Yield
With tert.-butylhydroperoxide; copper(II) bis(trifluoromethanesulfonate) In 1,2-dichloro-ethane at 130℃; for 12h; Sealed tube;	94%

: 118-90-1
ortho-methylbenzoic acid

: 638-49-3
n-pentyl formate

: 65382-89-0
pentyl 2-methylbenzoate

Conditions

Conditions	Yield
With tert.-butylhydroperoxide; copper(II) bis(trifluoromethanesulfonate) In 1,2-dichloro-ethane at 130℃; for 12h; Sealed tube;	93%

: 638-49-3
n-pentyl formate

: 586-76-5
4-Bromobenzoic acid

: 959297-46-2
pentyl 4-bromobenzoate

Conditions

Conditions	Yield
With tert.-butylhydroperoxide; copper(II) bis(trifluoromethanesulfonate) In 1,2-dichloro-ethane at 130℃; for 12h; Sealed tube;	93%

: 638-49-3
n-pentyl formate

: 939-48-0
isopropyl benzoate

: 2049-96-9
amyl benzoate

Conditions

Conditions	Yield
With tert.-butylhydroperoxide; copper(II) bis(trifluoromethanesulfonate) In 1,2-dichloro-ethane at 130℃; for 12h; Sealed tube;	92%

: 581814-74-6
N3-[3-methoxyphenyl]-p-tert-butyl-benzamidrazone

: 638-49-3
n-pentyl formate

: 581814-63-3
1-{3-[4-(tert-butyl)-phenyl]-(1,2,4-triazol-4-yl)}-3-methoxybenzene

Conditions

Conditions	Yield
at 20℃; for 4h; Heating / reflux;	91.1%

: 93-58-3
benzoic acid methyl ester

: 638-49-3
n-pentyl formate

: 2049-96-9
amyl benzoate

Conditions

Conditions	Yield
With tert.-butylhydroperoxide; copper(II) bis(trifluoromethanesulfonate) In 1,2-dichloro-ethane at 130℃; for 12h; Sealed tube;	91%

: 59352-90-8
2,3-diamino-5-bromo-6-methylpyridine

: 638-49-3
n-pentyl formate

: 28279-41-6
6-bromo-5-methylimidazo[4,5-b]pyridine

Conditions

Conditions	Yield
at 170 - 180℃; for 4h;	90.5%

: 638-49-3
n-pentyl formate

: 61719-62-8
N-3-ethyl-pyridine-3,4-diamine

: 120759-66-2
3-ethyl-3H-imidazo<4,5-c>pyridine

Conditions

Conditions	Yield
for 3.5h; Heating;	90%

: 638-49-3
n-pentyl formate

: 71-41-0
pentan-1-ol

Conditions

Conditions	Yield
dodecacarbonyl-triangulo-triruthenium; P(C4H9)3 In pyridine at 180℃; for 8h;	89%

: 638-49-3
n-pentyl formate

: 455-24-3
4-trifluoromethylbenzoic acid

: 959313-49-6
pentyl 4-(trifluoromethyl)benzoate

Conditions

Conditions	Yield
With tert.-butylhydroperoxide; copper(II) bis(trifluoromethanesulfonate) In 1,2-dichloro-ethane at 130℃; for 12h; Sealed tube;	89%

: 638-49-3
n-pentyl formate

: 99-94-5
p-Toluic acid

: pentyl 4-methylbenzoate

Conditions

Conditions	Yield
With tert.-butylhydroperoxide; copper(II) bis(trifluoromethanesulfonate) In 1,2-dichloro-ethane at 130℃; for 12h; Sealed tube;	88%

: 638-49-3
n-pentyl formate

: 947-84-2
2-Biphenylcarboxylic acid

: 1596172-31-4
pentyl [1,1'-biphenyl]-2-carboxylate

Conditions

Conditions	Yield
With tert.-butylhydroperoxide; copper(II) bis(trifluoromethanesulfonate) In 1,2-dichloro-ethane at 130℃; for 12h; Sealed tube;	88%

: 638-49-3
n-pentyl formate

: 100-09-4
4-methoxybenzoic acid

: 6938-46-1
n-pentyl 4-methoxybenzoate

Conditions

Conditions	Yield
With tert.-butylhydroperoxide; copper(II) bis(trifluoromethanesulfonate) In 1,2-dichloro-ethane at 130℃; for 12h; Sealed tube;	87%

: 638-49-3
n-pentyl formate

: 455-38-9
3-fluorobenzoic acid

: 312942-55-5
pentyl 3-fluorobenzoate

Conditions

Conditions	Yield
With tert.-butylhydroperoxide; copper(II) bis(trifluoromethanesulfonate) In 1,2-dichloro-ethane at 130℃; for 12h; Sealed tube;	86%

: 638-49-3
n-pentyl formate

: 619-58-9
4-iodobenzoic acid

: pentyl 4-iodobenzoate

Conditions

Conditions	Yield
With tert.-butylhydroperoxide; copper(II) bis(trifluoromethanesulfonate) In 1,2-dichloro-ethane at 130℃; for 12h; Sealed tube;	86%

: 638-49-3
n-pentyl formate

: 586-89-0
4-acetyl-benzoic acid

: 1596172-29-0
pentyl 4-acetylbenzoate

Conditions

Conditions	Yield
With tert.-butylhydroperoxide; copper(II) bis(trifluoromethanesulfonate) In 1,2-dichloro-ethane at 130℃; for 12h; Sealed tube;	86%

: 499-06-9
3,5-dimethylbenzoic acid

: 638-49-3
n-pentyl formate

: 1596172-34-7
pentyl 3,5-dimethylbenzoate

Conditions

Conditions	Yield
With tert.-butylhydroperoxide; copper(II) bis(trifluoromethanesulfonate) In 1,2-dichloro-ethane at 130℃; for 12h; Sealed tube;	86%

: 638-49-3
n-pentyl formate

: 98-89-5
Cyclohexanecarboxylic acid

: 6553-83-9
pentyl cyclohexanecarboxylate

Conditions

Conditions	Yield
With tert.-butylhydroperoxide; copper(II) bis(trifluoromethanesulfonate) In 1,2-dichloro-ethane at 130℃; for 12h; Sealed tube;	86%

: 638-49-3
n-pentyl formate

: 769-78-8
vinyl benzoate

: 2049-96-9
amyl benzoate

Conditions

Conditions	Yield
With tert.-butylhydroperoxide; copper(II) bis(trifluoromethanesulfonate) In 1,2-dichloro-ethane at 130℃; for 12h; Sealed tube;	86%

: 638-49-3
n-pentyl formate

: 65-85-0
benzoic acid

: 2049-96-9
amyl benzoate

Conditions

Conditions	Yield
With tert.-butylhydroperoxide; copper(II) bis(trifluoromethanesulfonate) In 1,2-dichloro-ethane at 130℃; for 12h; Reagent/catalyst; Solvent; Temperature; Sealed tube;	85%

: 638-49-3
n-pentyl formate

: 99-04-7
m-Toluic acid

: 5448-60-2
pentyl 3-methylbenzoate

Conditions

Conditions	Yield
With tert.-butylhydroperoxide; copper(II) bis(trifluoromethanesulfonate) In 1,2-dichloro-ethane at 130℃; for 12h; Sealed tube;	85%

: 638-49-3
n-pentyl formate

: 34654-20-1
N4-isopropylpyridine-3,4-diamine

: 120759-63-9
1-isopropyl-1H-imidazo<4,5-c>pyridine

Conditions

Conditions	Yield
for 3.5h; Heating;	84%

: 638-49-3
n-pentyl formate

: 3113-71-1
3-methyl-4-nitrobenzoic acid

: 1596172-38-1
pentyl 3-methyl-4-nitrobenzoate

Conditions

Conditions	Yield
With tert.-butylhydroperoxide; copper(II) bis(trifluoromethanesulfonate) In 1,2-dichloro-ethane at 130℃; for 12h; Sealed tube;	82%

: 638-49-3
n-pentyl formate

: 62-23-7
4-nitro-benzoic acid

: 14309-42-3
pentyl 4-nitrobenzoate

Conditions

Conditions	Yield
With tert.-butylhydroperoxide; copper(II) bis(trifluoromethanesulfonate) In 1,2-dichloro-ethane at 130℃; for 12h; Sealed tube;	80%

n-Amyl formate Chemical Properties

IUPAC Name: Pentyl formate
Synonyms of n-Amyl formate (CAS NO.638-49-3): Amyl formate ; Amyl methanoate ; Formic acid, pentyl ester ; Pentyl methanoate ; n-Pentyl methanoate ; Formic acid, pentyl ester
Product Categories: A-B;Alphabetical Listings;Flavors and Fragrances
CAS NO: 638-49-3
Molecular Formula: C₆H₁₂O₂
Molecular Weight : 116.1583
Molecular Structure:
EINECS: 211-340-6
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 5
Polar Surface Area: 26.3 Å²
Index of Refraction: 1.399
Molar Refractivity: 31.77 cm³
Molar Volume: 131.2 cm³
Surface Tension: 27 dyne/cm
Density: 0.884 g/cm³
Flash Point: 31.9 °C
Enthalpy of Vaporization: 37 kJ/mol
Boiling Point: 132.4 °C at 760 mmHg
Vapour Pressure: 8.87 mmHg at 25°C
Appearance: A clear colorless liquid with a plum-like odor.
Solubility: n-Amyl formate (CAS NO.638-49-3) is insoluble in water,but miscible with alcohol and ether.

n-Amyl formate Uses

GB 2760 - 1996 provides n-Amyl formate (CAS NO.638-49-3) for the use of food flavors.

n-Amyl formate Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
mammal (species unspecified)	LC50	inhalation	14gm/m3 (14000mg/m3)	Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(5), Pg. 61, 1986.
mammal (species unspecified)	LD50	oral	6300mg/kg (6300mg/kg)	Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 32(10), Pg. 25, 1988.
rabbit	LD50	skin	> 5gm/kg (5000mg/kg)	Food and Cosmetics Toxicology. Vol. 18, Pg. 649, 1980.
rat	LD50	oral	> 5gm/kg (5000mg/kg)	Food and Cosmetics Toxicology. Vol. 18, Pg. 649, 1980.

n-Amyl formate Consensus Reports

Reported in EPA TSCA Inventory.

n-Amyl formate Safety Profile

Hazard Codes: Irritant Xi
Risk Statements: 10-36/37
R10: Flammable.
R36/37: Irritating to eyes and respiratory system.
Safety Statements: 24
S24: Avoid contact with skin.
RIDADR: UN 1109 3/PG 3
WGK Germany: 2
RTECS: LQ9370000
HazardClass: 3.2
PackingGroup: III

Very low toxicity by several routes. A skin irritant. See also ESTERS. Dangerously flammable; reacts vigorously with heat, flame, oxidizing materials. To fight fire, use foam, CO₂, dry chemical.

n-Amyl formate Specification

1.Reactivity Profile: N-Amyl formate (CAS NO.638-49-3) is an ester. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides.
2.Health Hazard :May cause toxic effects if inhaled or absorbed through skin. Inhalation or contact with material may irritate or burn skin and eyes. Fire will produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution.
3.Fire Hazard :Highly flammable: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water.

Product Name

AMYL FORMATE

Synthetic route

n-Amyl formate Chemical Properties

n-Amyl formate Uses

n-Amyl formate Toxicity Data With Reference

n-Amyl formate Consensus Reports

n-Amyl formate Safety Profile

n-Amyl formate Specification

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