1.0
2010-04-08 22:04:41 UTC
2015-07-20 21:33:55 UTC
FDB000744
Methyl 10-undecenoate
Flavouring ingredient. [CCD]
10-Hendecenoic acid, methyl ester
10-Undecenoic acid methyl ester
10-Undecenoic acid, methyl ester
Methyl 10-undecenate
Methyl 10-undecenoate
Methyl ester OF 10-undecenoic acid
Methyl undec-10-enoate
Methyl undecenate
Methyl undecenoate
Undecenoic acid, methyl ester
Undecylenic acid methyl ester
Undecylenic acid, methyl ester
C12H22O2
198.3019
198.161979948
methyl undec-10-enoate
methyl undec-10-enoate
111-81-9
COC(=O)CCCCCCCCC=C
InChI=1S/C12H22O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h3H,1,4-11H2,2H3
KISVAASFGZJBCY-UHFFFAOYSA-N
belongs to the class of organic compounds known as fatty acid methyl esters. Fatty acid methyl esters are compounds containing a fatty acid that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=fatty aliphatic tail or organyl group and R'=methyl group.
Fatty acid methyl esters
Organic compounds
Lipids and lipid-like molecules
Fatty Acyls
Fatty acid esters
Aliphatic acyclic compounds
Carbonyl compounds
Hydrocarbon derivatives
Methyl esters
Monocarboxylic acids and derivatives
Organic oxides
Aliphatic acyclic compound
Carbonyl group
Carboxylic acid derivative
Carboxylic acid ester
Fatty acid methyl ester
Hydrocarbon derivative
Methyl ester
Monocarboxylic acid or derivatives
Organic oxide
Organic oxygen compound
Organooxygen compound
fatty acid methyl ester
Liquid
logp
4.44
logs
-4.82
solubility
3.03e-03 g/l
melting_point
Fp ?27.5°
logp
3.88
pka_strongest_basic
-7
iupac
methyl undec-10-enoate
average_mass
198.3019
mono_mass
198.161979948
smiles
COC(=O)CCCCCCCCC=C
formula
C12H22O2
inchi
InChI=1S/C12H22O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h3H,1,4-11H2,2H3
inchikey
KISVAASFGZJBCY-UHFFFAOYSA-N
polar_surface_area
26.3
refractivity
58.89
polarizability
24.95
rotatable_bond_count
10
acceptor_count
1
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::MsIr
3484
Specdb::MsIr
3485
Specdb::MsMs
46440
Specdb::MsMs
46441
Specdb::MsMs
46442
Specdb::MsMs
159930
Specdb::MsMs
159931
Specdb::MsMs
159932
Specdb::MsMs
3042658
Specdb::MsMs
3042659
Specdb::MsMs
3042660
Specdb::MsMs
3097549
Specdb::MsMs
3097550
Specdb::MsMs
3097551
Specdb::CMs
17062
Specdb::CMs
27210
Specdb::CMs
27904
Specdb::CMs
27905
Specdb::CMs
28067
Specdb::CMs
28084
Specdb::CMs
29412
Specdb::CMs
100329
Specdb::CMs
100330
Specdb::CMs
100331
Specdb::CMs
100332
Specdb::CMs
100333
Specdb::CMs
100334
Specdb::CMs
146824
HMDB29585
#<Reference:0x00005556730df858>
citrus
earthy
fatty
floral
fungal
rose
soapy
waxy