Amyl acetate supplier | CasNO.628-63-7

Name
Amyl acetate
EINECS 211-047-3
CAS No. 628-63-7
Article Data105
CAS DataBase
Density 0.876 g/cm³
Solubility Slightly soluble in water
Melting Point -100 °C(lit.)
Formula C₇H₁₄O₂
Boiling Point 149.9 °C at 760 mmHg
Molecular Weight 130.187
Flash Point 23.9 °C
Transport Information UN 1104 3/PG 3
Appearance Clear colorless liquid
Safety 23-25-24/25
Risk Codes 10-66
Molecular Structure
Hazard Symbols Xi
Synonyms Acetic acid, pentyl ester;
PSA 26.30000
LogP 1.73970

Synthetic route

: 71-41-0
pentan-1-ol

: 141-78-6
ethyl acetate

: 628-63-7
1-pentyl acetate

Conditions

Conditions	Yield
zirconium(IV) oxide at 200℃; in vapor-phase;	100%
With K5 for 2h; Heating;	90%
18-crown-6 ether; potassium carbonate at 170℃; Product distribution; various catalysts;	61 % Chromat.
18-crown-6 ether; potassium carbonate at 170℃;	61 % Chromat.
With Mycobacterium smegmatis acyl transferase In aq. phosphate buffer at 21℃; for 1h; pH=7.5; Inert atmosphere; Enzymatic reaction;

: 71-41-0
pentan-1-ol

: 108-24-7
acetic anhydride

: 628-63-7
1-pentyl acetate

Conditions

Conditions	Yield
With SiO2-supported Co(II) Salen complex catalyst at 50℃; for 0.833333h;	99%
With N-methylmorpholinium propanesulfonic acid ammonium hydrogensulfate at 25℃; for 0.05h; Inert atmosphere; neat (no solvent); chemoselective reaction;	98%
With Methylenediphosphonic acid at 20℃; for 2h; neat (no solvent);	98%

: 71-41-0
pentan-1-ol

: 64-19-7
acetic acid

: 628-63-7
1-pentyl acetate

Conditions

Conditions	Yield
With K5 for 1h; Heating;	97%
With Rhizomucor miehei lipase In n-heptane at 40℃; for 24h; Enzymatic reaction;	96.3%
With Fe(SO4)3 * xH2O for 1.5h; Heating;	94%

: 71-41-0
pentan-1-ol

: 108-24-7
acetic anhydride

A: 628-63-7
1-pentyl acetate

B: 64-19-7
acetic acid

Conditions

Conditions	Yield
With 3-((3-(trisilyloxy)propyl)propionamide)-1-methylimidazolium chloride ionic liquid supported on magnetic nanoparticle Fe2O3 at 20℃; for 0.833333h;	A 97% B n/a

...Expand

: 110-53-2
1-Bromopentane

: 127-09-3
sodium acetate

: 628-63-7
1-pentyl acetate

Conditions

Conditions	Yield
With Aliquat 336 at 120℃;	95%
<p>-(CH2)3-<sup>+</sup>PBu3</p> In water at 110℃; for 8h;	70%

: 110-62-3
pentanal

: 141-78-6
ethyl acetate

: 628-63-7
1-pentyl acetate

Conditions

Conditions	Yield
With [Zn(BH4)2(nmi)] In diethyl ether at 20℃; for 0.2h;	95%

: 110-43-0
n-pentyl methyl ketone

: 628-63-7
1-pentyl acetate

Conditions

Conditions	Yield
With D-(+)-glucose In aq. buffer at 15℃; for 24h;	73.6%
With disodium hydrogenphosphate; dichloromethane; trifluoroacetyl peroxide
With 3-chloro-benzenecarboperoxoic acid In chloroform at 49.7℃; under 750.06 Torr; Kinetics; Thermodynamic data; Further Variations:; Pressures; Baeyer-Villiger oxidation;
With glucose dehydrogenase; D-glucose; potassium chloride; NADPH In aq. buffer at 30℃; pH=8.5; Baeyer-Villiger Ketone Oxidation; Enzymatic reaction; regioselective reaction;

bistriphenylphosphinedibromopalladium: bistriphenylphosphinedibromopalladium

: 463-04-7
n-Amyl nitrite

: 1112-67-0
tetrabutyl-ammonium chloride

: 108-90-7
chlorobenzene

A: 628-63-7
1-pentyl acetate

B: 20602-31-7
propanedioic acid dipentyl ester

Conditions

Conditions	Yield
With stannous chloride; nitrogen	A 59.1% B n/a

...Expand

: 71-41-0
pentan-1-ol

: 7204-64-0
tributylammonium acetate

: 628-63-7
1-pentyl acetate

Conditions

Conditions	Yield
under 630 Torr; Heating / reflux;	38.1%

: 71-41-0
pentan-1-ol

: 78-39-7
Triethyl orthoacetate

A: 693-65-2
dipentyl ether

B: 17952-11-3
1-ethoxypentane

C: 628-63-7
1-pentyl acetate

Conditions

Conditions	Yield
silica gel at 20℃; for 12h;	A 10% B 10% C 35%

...Expand

: 32767-70-7
2-(pentyloxy)tetrahydro-2H-pyran

: 18292-38-1
2-methallyltrimethylsilane

: 108-24-7
acetic anhydride

A: 628-63-7
1-pentyl acetate

B: 67217-57-6
2-(2-methallyl)tetrahydro-2H-pyran

C: 1253279-28-5
C16H30O3

Conditions

Conditions	Yield
With bismuth(III) bromide at 20℃; for 1.58333h; Inert atmosphere;	A n/a B n/a C 35%

...Expand

bistriphenylphosphinedibromopalladium: bistriphenylphosphinedibromopalladium

: tetra-n-ethylammonium bromide

: 463-04-7
n-Amyl nitrite

: 201230-82-2
carbon monoxide

: tin(II) bromide

A: 628-63-7
1-pentyl acetate

B: 20602-31-7
propanedioic acid dipentyl ester

Conditions

Conditions	Yield
In chlorobenzene	A 28.3% B n/a

...Expand

bistriphenylphosphinedibromopalladium: bistriphenylphosphinedibromopalladium

: 463-04-7
n-Amyl nitrite

: 1112-67-0
tetrabutyl-ammonium chloride

A: 628-63-7
1-pentyl acetate

B: 20602-31-7
propanedioic acid dipentyl ester

Conditions

Conditions	Yield
With 1-methyl-pyrrolidin-2-one; stannous chloride; nitrogen In n-heptane	A 18.8% B n/a
With 1-methyl-pyrrolidin-2-one; stannous chloride; nitrogen; triphenylphosphine In n-heptane	A 14% B n/a

...Expand

: 463-51-4
Ketene

: 71-41-0
pentan-1-ol

: 628-63-7
1-pentyl acetate

: 543-59-9
1-Chloropentane

: 127-09-3
sodium acetate

: 628-63-7
1-pentyl acetate

Conditions

Conditions	Yield
With pyrographite at 240℃;

: 628-17-1
amyl iodide

: 563-63-3
silver(I) acetate

: 628-63-7
1-pentyl acetate

: 543-59-9
1-Chloropentane

: 127-08-2
potassium acetate

: 628-63-7
1-pentyl acetate

Conditions

Conditions	Yield
tetraethylammonium chloride In acetonitrile at 60℃; Rate constant;
In N,N-dimethyl-formamide; toluene at 60℃; Rate constant; Thermodynamic data; Ea; ΔH333, ΔS333;

: 13002-08-9
1,1-dipentyloxyethane

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

B: 628-63-7
1-pentyl acetate

Conditions

Conditions	Yield
With ozone In tetrachloromethane at 25℃; Rate constant; k= 2.3 liter/mole.sec;

: 13002-08-9
1,1-dipentyloxyethane

A: 110-62-3
pentanal

B: 124-18-5
decane

C: 17952-11-3
1-ethoxypentane

D: 628-63-7
1-pentyl acetate

E: 75-07-0
acetaldehyde

F: 109-66-0
pentane

Conditions

Conditions	Yield
With di-tert-butyl peroxide at 150℃; Product distribution; Kinetics; Mechanism; termperature 120 - 150 deg C, E(activ.), preexponential factors and velocity const.;

...Expand

: 758-12-3
deuteroacetic acid

: 88125-58-0
C32H32N(1+)*BF4(1-)

A: 626-38-0
2-Pentyl acetate

B: 109-67-1
1-penten

C: 628-63-7
1-pentyl acetate

D: 109-68-2
2-pentene

Conditions

Conditions	Yield
at 150℃; Yield given. Yields of byproduct given;

...Expand

: 628-63-7
1-pentyl acetate

: 71-41-0
pentan-1-ol

Conditions

Conditions	Yield
With aluminum oxide; potassium hydroxide In diethyl ether for 3h; Product distribution; Ambient temperature;	100%
With potassium hydroxide; polystyrene-CH2=O(CH2CH2O)5H copolymer In benzene at 25℃; for 3h;	100 % Chromat.
With sodium hydroxide In methanol; water	93 %Chromat.

: 628-63-7
1-pentyl acetate

: 123-11-5
4-methoxy-benzaldehyde

: n-pentyl p-methoxycinnamate

Conditions

Conditions	Yield
With titanium tetrachloride; triethylamine In dichloromethane at 10 - 40℃; for 3h;	99%

: 628-63-7
1-pentyl acetate

: 71-36-3
butan-1-ol

: 123-86-4
acetic acid butyl ester

Conditions

Conditions	Yield
With diethylamine; lithium bromide at 20℃; for 24h; neat (no solvent);	78%
K2CO3 + 5percent Carbowax 6000 at 170℃;	58 % Chromat.

: 628-63-7
1-pentyl acetate

: 3-(tert-butylperoxy)-3-methylindolin-2-one

: 2-methyl-2-(pentyloxy)-2H-benzo[b][1,4]oxazin-3(4H)-one

Conditions

Conditions	Yield
With tin(II) trifluoromethanesulfonate at 60℃; for 14h; Criegee Rearrangement; Sealed tube; Inert atmosphere;	72%

: 628-63-7
1-pentyl acetate

A: 79-21-0
peracetic acid

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

Conditions

Conditions	Yield
With dihydrogen peroxide; cation exchanger KU-2 x 8 In 1,4-dioxane at 29.9℃; Rate constant; Kinetics; Equilibrium constant; other temperature, other ratio;	A 68% B n/a

: 628-63-7
1-pentyl acetate

: 775-12-2
diphenylsilane

: C19H26O2Si

Conditions

Conditions	Yield
With ((HBPIDipp,H)FeBr2); sodium triethylborohydride In toluene at 20℃; for 24h; Schlenk technique; Inert atmosphere;	64%

: 628-63-7
1-pentyl acetate

: 2809-21-4
1-hydroxyethylene-(1,1-diphosphonic acid)

Conditions

Conditions	Yield
With phosphonic Acid; phosphorus trichloride In sulfolane; water 1.) 40 deg C to 60 deg C, 1 h 30 min, 2.) 108 deg C to 113 deg C, 6 h;	39%

Amyl acetate Specification

The Amyl acetate, with the CAS registry number 628-63-7, is also known as 1-Pentyl acetate. It belongs to the product category of Pharmaceutical Intermediates. Its EINECS registry number is 211-047-3. This chemical's molecular formula is C₇H₁₄O₂ and molecular weight is 130.18486. Its IUPAC name is called pentyl acetate. This chemical's classification codes are Human Data; Skin / Eye Irritant.

Physical properties of Amyl acetate are: (1)ACD/LogP: 2.314; (2)ACD/LogD (pH 5.5): 2.31; (3)ACD/LogD (pH 7.4): 2.31; (4)ACD/BCF (pH 5.5): 33.76; (5)ACD/BCF (pH 7.4): 33.76; (6)ACD/KOC (pH 5.5): 432.16; (7)ACD/KOC (pH 7.4): 432.16; (8)#H bond acceptors:2; (9)#Freely Rotating Bonds: 5; (10)Index of Refraction: 1.406 ; (11)Molar Refractivity: 36.254 cm³; (12)Molar Volume: 147.565 cm³; (13)Polarizability: 14.372 10-24cm³; (14)Surface Tension: 26.681999206543 dyne/cm; (15)Density: 0.882 g/cm³; (16)Flash Point: 23.889 °C; (17)Enthalpy of Vaporization: 38.684 kJ/mol; (18)Boiling Point: 149.942 °C at 760 mmHg; (19)Vapour Pressure: 3.93300008773804 mmHg at 25°C

Preparation of Amyl acetate: The compound is the condensation product of acetic acid and 1-pentanol

Preparation of Amyl acetate

Uses of Amyl acetate: it can be used to produce pentan-1-ol at temperature of 25 °C. This reaction will need reagent polystyrene-CH₂=O(CH₂CH₂O)₅H copolymer, 60percent aq. KOH and solvent benzene with reaction time of 3 hours. The yield is about 100%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is flammable. Repeated exposure may cause skin dryness or cracking. You should not breathe its gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer). What's more, you must avoid contacting it with skin and eyes.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCOC(=O)C
(2)InChI: InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3
(3)InChIKey: PGMYKACGEOXYJE-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
guinea pig	LDLo	intraperitoneal	1500mg/kg (1500mg/kg)		American Industrial Hygiene Association Journal. Vol. 35, Pg. 21, 1974.
human	TCLo	inhalation	5000mg/m3/30M (5000mg/m3)	SENSE ORGANS AND SPECIAL SENSES: CONJUNCTIVE IRRITATION: EYE BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES	Archiv fuer Hygiene. Vol. 78, Pg. 260, 1913.
rabbit	LD50	oral	7400mg/kg (7400mg/kg)		"Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 357, 1986.
rat	LC	inhalation	> 3000ppm/6H (3000ppm)		National Technical Information Service. Vol. OTS0558878,
rat	LD50	oral	> 1600mg/kg (1600mg/kg)		National Technical Information Service. Vol. OTS0556694,

Product Name

Amyl acetate

Synthetic route

Amyl acetate Specification

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