Compound: Amyl acetate
SMILES: O=C(OCCCCC)C
InChIKey: PGMYKACGEOXYJE-UHFFFAOYSA-N
Synonyms: Amyl acetate, Pentyl acetate, 628-63-7, n-Amyl acetate, N-PENTYL ACETATE, Acetic acid, pentyl ester, Birnenoel, Amyl acetic ester, 1-Pentyl acetate, n-Pentyl ethanoate, Pent-acetate 28, Acetic acid, amyl ester, Amyl acetic ether, Amylazetat, 1-Pentanol acetate, Octan amylu, Acetate d'amyle, Primary amyl acetate, Holiday Pet Repellent, Holiday Repellent Dust, Amylester kyseliny octove, Dymon SWH Wasp & Hornet Spray, EPA Pesticide Chemical Code 000169, 92Q24NH7AS, DTXSID1027263, AI3-02729, NSC-7923, DTXCID107263, CHEBI:87362, RefChem:829034, 211-047-3, Pent-acetate, Acetic acid pentyl ester, Acetic acid n-amyl ester, 1-Acetoxypentane, NSC 7923, 1-Pentanol, acetate, 828-63-7, MFCD00009500, Acetic acid, n-pentyl ester, pentyl ethanoate, Prim-amyl acetate, Amylazetat [German], Octan amylu [Polish], Caswell No. 049A, n-Amyl acetate, normal, Acetate d'amyle [French], Amyl acetate, n-, CAS-628-63-7, HSDB 5126, Amylester kyseliny octove [Czech], n-Amyl acetate, normal (natural), Acetic Acid Amyl Ester, EINECS 211-047-3, UN1104, Amyl acetate (commercial), Pentyl ester of acetic acid, BRN 1744753, pentylethanoate, UNII-92Q24NH7AS, Amyl acetates, Pentyl acetate, 99%, Acetic acid, N-amyl ester, AMYL ACETATE [II], Amyl acetate =99%, FG, SCHEMBL10663, 4-02-00-00152 (Beilstein Handbook Reference), WLN: 5OV1, AMYL ACETATE [MART.], CHEMBL47769, SCHEMBL128295, SCHEMBL133539, SCHEMBL232653, Amyl acetate, >=99%, FG, N-AMYL ACETATE [HSDB], SCHEMBL6807989, SCHEMBL11651358, SCHEMBL11784882, NSC7923, Pentyl acetate, analytical standard, AAA62863, Tox21_201628, Tox21_300360, EBC-48045, LMFA07010176, MSK000793, SBB060027, STL268857, AKOS009031544, MSK000793-100M, MSK000793-1000M, NCGC00248005-01, NCGC00248005-02, NCGC00254285-01, NCGC00259177-01, A0021, NS00008926, ST51046287, Amyl acetate Solution in Methanol, 100ug/mL, Amyl acetates [UN1104]  [Flammable liquid], EN300-19874, Amyl acetate Solution in Methanol, 1000ug/mL, Pentyl acetate, puriss. p.a., >=98.5% (GC), Q416972, Z104475894, InChI=1/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H
Theoretical properties:
molecular_formula: C7H14O2
molecular_weight: 130.18 g/mol
exact_mass: 130.099379685 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 5
heavy_atom_count: 9
topological_polar_surface_area: 26.3 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Colorless liquid
color: Colorless liquid
odor: Persistent banana-like odor
boiling_point: 295 °F at 760 mmHg (USCG, 1999)
melting_point: less than -148 °F (USCG, 1999)
density: 0.876 at 68 °F (USCG, 1999) - Less dense than water; will float
solubility: 0.2 % (NIOSH, 2024)
flash_point: (n-) 91 °F (cc); (all isomers) 106F (cc); (iso-) 69 °F (cc) (USCG, 1999)
vapor_pressure: 5.17 mmHg (USCG, 1999)
Descriptions:
pubchem: Pentyl acetate is an acetate ester of pentanol. It has a role as a metabolite. It is functionally related to a pentan-1-ol.
chebi: An acetate ester of pentanol.
chembl: ACETIC ACID PENTYL ESTER is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Amyl acetate (pentyl acetate) is an organic compound and an ester with the chemical formula CH3COO[CH2]4CH3 and the molecular weight 130.19 g/mol. It is colorless and has a scent similar to bananas and apples. The compound is the condensation product of acetic acid and 1-pentanol.  However, esters formed from other pentanol isomers (amyl alcohols), or mixtures of pentanols, are often referred to as amyl acetate. The symptoms of exposure to amyl acetate in humans are dermatitis, central nervous system depression, narcosis and irritation to the eyes and nose.