46022

Pentyl acetate

≥98.5% (GC), puriss. p.a.

• Synonym(s): Amyl acetate
• Linear Formula: CH₃COO(CH₂)₄CH₃
• CAS Number: 628-63-7
• Molecular Weight: 130.18
• NACRES: NA.21
• PubChem Substance ID: 57650662
• UNSPSC Code: 12352100
• EC Number: 211-047-3
• MDL number: MFCD00009500
• Beilstein/REAXYS Number: 1744753
• Assay: ≥98.5% (GC)

Properties

• Product Name: Pentyl acetate, puriss. p.a., ≥98.5% (GC)
• vapor density: 4.5 (vs air)
• Quality Segment: 200
• 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

Description

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).[1]

Safety Information

• pictograms: GHS02
• signalword: Warning
• hcodes: H226
• pcodes: P210 - P233 - P240 - P241 - P242 - P243
• Hazard Classifications: Flam. Liq. 3
• supp_hazards: EUH066
• 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