1.0
2010-04-08 22:13:49 UTC
2019-11-26 03:16:23 UTC
FDB018599
Pentyl acetate
Flavouring agent. Pentyl acetate is found in many foods, some of which are cocoa bean, sweet bay, peach, and apple.
1-Acetoxypentane
1-Pentanol acetate
1-Pentanol, acetate
1-Pentyl acetate
Acetate pentyl ester
Acetic acid n-amyl ester
Acetic acid, amyl ester
Acetic acid, n-pentyl ester
Acetic acid, pentyl ester
Amyl acetate
Amyl acetate, n-
Amyl acetic ester
Amyl acetic ether
n-Amyl acetate
N-pentyl acetate
N-pentyl ethanoate
Pentyl acetate
C7H14O2
130.1849
130.099379692
pentyl acetate
amyl acetate
628-63-7
CCCCCOC(C)=O
InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3
PGMYKACGEOXYJE-UHFFFAOYSA-N
logp
2.46
logs
-1.88
solubility
1.73e+00 g/l
melting_point
Fp -70.8°
logp
1.69
pka_strongest_basic
-7
iupac
pentyl acetate
average_mass
130.1849
mono_mass
130.099379692
smiles
CCCCCOC(C)=O
formula
C7H14O2
inchi
InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3
inchikey
PGMYKACGEOXYJE-UHFFFAOYSA-N
polar_surface_area
26.3
refractivity
35.89
polarizability
15.5
rotatable_bond_count
5
acceptor_count
1
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::MsIr
8096
Specdb::MsIr
8097
Specdb::CMs
3151
Specdb::CMs
27049
Specdb::CMs
27116
Specdb::CMs
27206
Specdb::CMs
27823
Specdb::CMs
27846
Specdb::CMs
28232
Specdb::CMs
28615
Specdb::CMs
102007
Specdb::CMs
102008
Specdb::CMs
102009
Specdb::CMs
102010
Specdb::CMs
102011
Specdb::CMs
102012
Specdb::CMs
102013
Specdb::CMs
172346
Specdb::NmrOneD
31042
Specdb::NmrOneD
31043
Specdb::NmrOneD
31044
Specdb::NmrOneD
31045
Specdb::NmrOneD
31046
Specdb::NmrOneD
31047
Specdb::NmrOneD
31048
Specdb::NmrOneD
31049
Specdb::NmrOneD
31050
Specdb::NmrOneD
31051
Specdb::NmrOneD
31052
Specdb::NmrOneD
31053
Specdb::NmrOneD
31054
Specdb::NmrOneD
31055
Specdb::NmrOneD
31056
Specdb::NmrOneD
31057
Specdb::NmrOneD
31058
Specdb::NmrOneD
31059
Specdb::NmrOneD
31060
Specdb::NmrOneD
31061
Specdb::MsMs
11489
Specdb::MsMs
11490
Specdb::MsMs
11491
Specdb::MsMs
18161
Specdb::MsMs
18162
Specdb::MsMs
18163
Specdb::MsMs
2736521
Specdb::MsMs
2736522
Specdb::MsMs
2736523
Specdb::MsMs
2969262
Specdb::MsMs
2969263
Specdb::MsMs
2969264
HMDB39095
#<Reference:0x0000555670e2ec00>
Apple
Type 1
specific
Malus pumila
283210
Asian pear
Type 1
specific
Pyrus pyrifolia
3767
Blackberry
Type 1
specific
Rubus
Cocoa bean
Type 1
specific
Theobroma cacao
3641
Evergreen blackberry
Type 1
specific
Rubus laciniatus
Papaya
Type 1
specific
Carica papaya
3649
Peach
Type 1
specific
Prunus persica
3760
Pear
Type 1
specific
Pyrus communis
23211
Sweet bay
Type 1
specific
Laurus nobilis
85223
Sweet cherry
Type 1
specific
Prunus avium
42229
banana
ethereal
fruity