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Name	n-Amyl formate	EINECS	N/A
CAS No.	638-49-3	Density	0.884g/mLat 25°C(lit.)
PSA	26.30000	LogP	1.98550
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	N/A	Appearance	N/A
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	Article Data	28

n-Amyl formate 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%

: 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

: 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.

: 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%

: 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

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.

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