CAS No.628-63-7,Amyl acetate Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	628-63-7
Name:	Amyl acetate
Article Data:	105

Formula:	C₇H₁₄O₂
Molecular Weight:	130.187
Synonyms:	Acetic acid, pentyl ester;
EINECS:	211-047-3
Density:	0.876 g/cm³
Melting Point:	-100 °C(lit.)
Boiling Point:	149.9 °C at 760 mmHg
Flash Point:	23.9 °C
Solubility:	Slightly soluble in water
Appearance:	Clear colorless liquid
Hazard Symbols:	Xi
Risk Codes:	10-66
Safety:	23-25-24/25
Transport Information:	UN 1104 3/PG 3
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

Raw Materials

7505-07-9

127-09-3

141-78-6

7204-64-0

79-21-0

1445-45-0

78-39-7

13002-08-9

Downstream Products

62-54-4

79-21-0

629-70-9

20395-28-2

84449-80-9

123-86-4

2809-21-4

124-38-9

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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,