1.0
2010-04-08 22:14:40 UTC
2019-11-26 03:18:01 UTC
FDB019908
Oxalic acid dibutyl ester
Constituent of Juglans regia (walnut) and Panax ginseng (ginseng). Oxalic acid dibutyl ester is found in tea and nuts.
Butyl ethanedioate
Butyl oxalate
Di-n-butyl oxalate
Dibutyl ester of oxalic acid
Dibutyl oxalate
Ethanedioic acid, 1,2-dibutyl ester
Ethanedioic acid, dibutyl ester
Oxalic acid
Oxalic acid di-n-butyl ester
Oxalic acid, dibutyl ester
Oxalic acid, dibutyl ester (8CI)
C10H18O4
202.2475
202.120509064
dibutyl oxalate
dibutyl oxalate
2050-60-4
CCCCOC(=O)C(=O)OCCCC
InChI=1S/C10H18O4/c1-3-5-7-13-9(11)10(12)14-8-6-4-2/h3-8H2,1-2H3
JKRZOJADNVOXPM-UHFFFAOYSA-N
belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.
Dicarboxylic acids and derivatives
Organic compounds
Organic acids and derivatives
Carboxylic acids and derivatives
Dicarboxylic acids and derivatives
Aliphatic acyclic compounds
Carbonyl compounds
Carboxylic acid esters
Hydrocarbon derivatives
Organic oxides
Aliphatic acyclic compound
Carbonyl group
Carboxylic acid ester
Dicarboxylic acid or derivatives
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Organooxygen compound
logp
2.80
logs
-2.93
solubility
2.37e-01 g/l
melting_point
Mp -29°
logp
3.14
pka_strongest_basic
-8
iupac
dibutyl oxalate
average_mass
202.2475
mono_mass
202.120509064
smiles
CCCCOC(=O)C(=O)OCCCC
formula
C10H18O4
inchi
InChI=1S/C10H18O4/c1-3-5-7-13-9(11)10(12)14-8-6-4-2/h3-8H2,1-2H3
inchikey
JKRZOJADNVOXPM-UHFFFAOYSA-N
polar_surface_area
52.6
refractivity
51.72
polarizability
22.81
rotatable_bond_count
9
acceptor_count
2
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::CMs
10802
Specdb::CMs
26973
Specdb::CMs
28075
Specdb::CMs
28117
Specdb::CMs
28197
Specdb::CMs
28219
Specdb::CMs
102059
Specdb::CMs
102060
Specdb::CMs
102061
Specdb::CMs
102062
Specdb::CMs
102063
Specdb::CMs
137233
Specdb::CMs
144967
Specdb::MsIr
8754
Specdb::MsIr
8755
Specdb::MsMs
58077
Specdb::MsMs
58078
Specdb::MsMs
58079
Specdb::MsMs
113925
Specdb::MsMs
113926
Specdb::MsMs
113927
Specdb::MsMs
2271336
Specdb::MsMs
2271337
Specdb::MsMs
2271338
Specdb::MsMs
3067355
Specdb::MsMs
3067356
Specdb::MsMs
3067357
HMDB40196
#<Reference:0x0000555675e21f78>
Black tea
Type 1
Green tea
Type 1
Herbal tea
Type 1
Nuts
Unknown
generic
Red tea
Type 1
Tea
Type 1
specific
Camellia sinensis
4442