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| CAS No.: | 638-49-3 |
|---|---|
| Name: | AMYL FORMATE |
| Article Data: | 28 |
| Molecular Structure: | |
|
|
|
| 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 |
- 81281-59-67-Benzylideneaminotheophylline
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
- 852475-26-4MC1568
- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
- 99170-93-1N-Methyl-2-oxazolamine
- 717878-06-31-(4-fluorophenyl)-4-nitro-1H-imidazole
- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
| 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% |
| 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 | 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 | Yield |
|---|---|
| at 100℃; for 0.833333h; Product distribution; different alcohols; | A n/a B 90% C n/a |
| 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 | Yield |
|---|---|
| With water; tetraphenylphosphonium bromide; triphenylphosphine; potassium hydroxide at 25℃; Inert atmosphere; Darkness; regioselective reaction; | A 79% B 36 %Chromat. |
| 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
E
- 67-64-1
acetone
F
- 75-65-0
tert-butyl alcohol
| 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% |
- 638-49-3
n-pentyl formate
| 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 | Yield |
|---|---|
| at 130℃; for 1.5h; Product distribution; other concentration of reagents; |
- Total:13 Page 1 of 1 1
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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: 
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.
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.