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Merck

46022

Pentyl acetate

≥98.5% (GC), puriss. p.a.

Synonym(s):

Amyl acetate

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About This Item

Linear Formula:
CH3COO(CH2)4CH3
CAS Number:
Molecular Weight:
130.18
NACRES:
NA.21
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
211-047-3
MDL number:
Beilstein/REAXYS Number:
1744753
Assay:
≥98.5% (GC)
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Product Name

Pentyl acetate, puriss. p.a., ≥98.5% (GC)

vapor density

4.5 (vs air)

Quality Level

vapor pressure

4 mmHg ( 20 °C)

grade

puriss. p.a.

assay

≥98.5% (GC)

autoignition temp.

680 °F

impurities

≤1% isopentyl acetate

refractive index

n20/D 1.402 (lit.), n20/D 1.403

bp

142-149 °C (lit.)

mp

−100 °C (lit.)

density

0.876 g/mL at 25 °C (lit.)

cation traces

Al: ≤0.5 mg/kg, Ba: ≤0.1 mg/kg, Bi: ≤0.1 mg/kg, Ca: ≤0.5 mg/kg, Cd: ≤0.05 mg/kg, Co: ≤0.02 mg/kg, Cr: ≤0.02 mg/kg, Cu: ≤0.02 mg/kg, Fe: ≤0.1 mg/kg, K: ≤0.5 mg/kg, Li: ≤0.1 mg/kg, Mg: ≤0.1 mg/kg, Mn: ≤0.02 mg/kg, Mo: ≤0.1 mg/kg, Na: ≤0.5 mg/kg, Ni: ≤0.02 mg/kg, Pb: ≤0.1 mg/kg, Sr: ≤0.1 mg/kg, Zn: ≤0.1 mg/kg

functional group

ester

SMILES string

CCCCCOC(C)=O

InChI

1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3

InChI key

PGMYKACGEOXYJE-UHFFFAOYSA-N

General description

Pentyl acetate is a straight chain ester. It is an odorant and its odor threshold has been evaluated by sensory panel methods. High pressure phase behavior of type I has been reported for its binary mixtures with CO2. Solubility of these solvent mixtures was observed to increase with the rise in temperature at constant pressure.

Application

Banana essence. Used as test odorant in studies of olfactory function and in studies of the psychosocial effects of odor.
Pentyl acetate may be used as odorant to compose the library of odorants to evaluate the responses of olfactory sensory neurons (OSNs) to various odorants (having different structures and odors).


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pictograms

Flame

signalword

Warning

hcodes

Hazard Classifications

Flam. Liq. 3

supp_hazards

Storage Class

3 - Flammable liquids

wgk

WGK 1

flash_point_f

105.8 °F

flash_point_c

41 °C

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter



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Kiyomitsu Nara et al.
The Journal of neuroscience : the official journal of the Society for Neuroscience, 31(25), 9179-9191 (2011-06-24)
Mammals can perceive and discriminate myriad volatile chemicals as having a distinct odor. Odorants are initially detected by odorant receptors (ORs) on olfactory sensory neurons (OSNs) in the nose. In the mouse, each OSN expresses one of ∼1000 different OR
Odour thresholds of various branched and straight chain acetates.
Takeoka G, et al.
LWT--Food Science and Technology, 29(7), 667-680 (1996)
High-pressure phase behavior and modeling of binary mixtures for alkyl acetate in supercritical carbon dioxide.
Byun H-S, et al.
Journal of Supercritical Fluids, 37(3), 323-332 (2006)