1.0
2010-04-08 22:14:43 UTC
2019-11-26 03:18:13 UTC
FDB019984
Nonyl acetate
Found in citrus peel oils, kumquat peel oil, wine grapes, apple, melon, milk, beer, gruyere cheese and pepino fruits (Solanum muricaturm)
1-Acetoxynonane
1-Nonanyl acetate
1-Nonyl acetate
Acetate C-9
Acetic acid n-nonyl ester
Acetic acid, nonyl ester
FEMA 2788
N-nonanyl acetate
N-nonyl acetate
N-nonyl ethanoate
Nonanol acetate
Nonyl acetate
Nonyl alcohol, acetate
Nonyl alcohol, acetate (6ci)
Nonyl ethanoate
Pelargonyl acetate
C11H22O2
186.2912
186.161979948
nonyl acetate
acetic acid, nonyl ester
143-13-5
CCCCCCCCCOC(C)=O
InChI=1S/C11H22O2/c1-3-4-5-6-7-8-9-10-13-11(2)12/h3-10H2,1-2H3
GJQIMXVRFNLMTB-UHFFFAOYSA-N
belongs to the class of organic compounds known as fatty alcohol esters. These are ester derivatives of a fatty alcohol.
Fatty alcohol esters
Organic compounds
Lipids and lipid-like molecules
Fatty Acyls
Fatty alcohol esters
Aliphatic acyclic compounds
Carbonyl compounds
Carboxylic acid esters
Hydrocarbon derivatives
Monocarboxylic acids and derivatives
Organic oxides
Aliphatic acyclic compound
Carbonyl group
Carboxylic acid derivative
Carboxylic acid ester
Fatty alcohol ester
Hydrocarbon derivative
Monocarboxylic acid or derivatives
Organic oxide
Organic oxygen compound
Organooxygen compound
Wax monoesters
acetate ester
Liquid
logp
4.62
logs
-4.12
solubility
1.40e-02 g/l
melting_point
-26 oC
logp
3.47
pka_strongest_basic
-7
iupac
nonyl acetate
average_mass
186.2912
mono_mass
186.161979948
smiles
CCCCCCCCCOC(C)=O
formula
C11H22O2
inchi
InChI=1S/C11H22O2/c1-3-4-5-6-7-8-9-10-13-11(2)12/h3-10H2,1-2H3
inchikey
GJQIMXVRFNLMTB-UHFFFAOYSA-N
polar_surface_area
26.3
refractivity
54.29
polarizability
23.87
rotatable_bond_count
9
acceptor_count
1
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::CMs
23342
Specdb::CMs
28458
Specdb::CMs
102106
Specdb::CMs
132181
Specdb::CMs
139915
Specdb::MsIr
8869
Specdb::MsIr
8870
Specdb::MsMs
82062
Specdb::MsMs
82063
Specdb::MsMs
82064
Specdb::MsMs
143322
Specdb::MsMs
143323
Specdb::MsMs
143324
Specdb::MsMs
2707106
Specdb::MsMs
2707107
Specdb::MsMs
2707108
Specdb::MsMs
2998618
Specdb::MsMs
2998619
Specdb::MsMs
2998620
HMDB40266
#<Reference:0x00005556758712b8>
Alcoholic beverages
Unknown
generic
Asian pear
Type 1
specific
Pyrus pyrifolia
3767
Citrus
Unknown
generic
Fruits
Unknown
generic
Lemon
Type 1
specific
Citrus limon
2708
Milk and milk products
Unknown
generic
Muskmelon
Type 1
specific
Cucumis melo
3656
Pomes
Unknown
generic
bitter
clean
fruit
fruity
gardenia
green
soapy
sweet
tropical
waxy