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638-49-3

Basic Information
CAS No.: 638-49-3
Name: AMYL FORMATE
Article Data: 28
Molecular Structure:
Molecular Structure of 638-49-3 (AMYL FORMATE)
Formula: C7H5 Cl3
Molecular Weight: 116.16
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
Density: 0.884g/mLat 25°C(lit.)
Melting Point: -73.5oC
Boiling Point: 132°C(lit.)
Flash Point: 83°F
Solubility: 2.904g/L(22 oC)
Hazard Symbols: Xi
Risk Codes: R10; R36/37
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.
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
In various solvent(s) at 120℃; for 12h; Product distribution; Mechanism;A n/a
B 29%
C 10%
D 18%
E 8%
F 64%

m-Nitro-benzolsulfonsaeure-n-pentylester

638-49-3

n-pentyl formate

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

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.

Uses

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

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect 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.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Hazard Codes: IrritantXi
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.

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.