1.0
2011-03-30 21:42:26 UTC
2015-07-21 06:56:04 UTC
FDB021779
Diisobutyl adipate
Food additive [Goodscents]
Bis(2-methylpropyl) ester
Bis(2-methylpropyl) hexanedioate
Diisobutyl adipate
Hexanedioic acid, 9CI; Bis(2-methylpropyl) ester
C14H26O4
258.358
258.183109317
141-04-8
CC(C)COC(=O)CCCCC(=O)OCC(C)C
InChI=1S/C14H26O4/c1-11(2)9-17-13(15)7-5-6-8-14(16)18-10-12(3)4/h11-12H,5-10H2,1-4H3
RDOFJDLLWVCMRU-UHFFFAOYSA-N
belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
Fatty acid esters
Organic compounds
Lipids and lipid-like molecules
Fatty Acyls
Fatty acid esters
Aliphatic acyclic compounds
Carbonyl compounds
Carboxylic acid esters
Dicarboxylic acids and derivatives
Hydrocarbon derivatives
Organic oxides
Aliphatic acyclic compound
Carbonyl group
Carboxylic acid derivative
Carboxylic acid ester
Dicarboxylic acid or derivatives
Fatty acid ester
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Organooxygen compound
fatty acid ester
average_mass
258.358
mono_mass
258.183109317
smiles
CC(C)COC(=O)CCCCC(=O)OCC(C)C
formula
C14H26O4
inchi
InChI=1S/C14H26O4/c1-11(2)9-17-13(15)7-5-6-8-14(16)18-10-12(3)4/h11-12H,5-10H2,1-4H3
inchikey
RDOFJDLLWVCMRU-UHFFFAOYSA-N
Specdb::CMs
22656
Specdb::CMs
27498
Specdb::CMs
102254
Specdb::CMs
174750
Specdb::MsMs
107412
Specdb::MsMs
107413
Specdb::MsMs
107414
Specdb::MsMs
174393
Specdb::MsMs
174394
Specdb::MsMs
174395
Specdb::MsMs
2838093
Specdb::MsMs
2838094
Specdb::MsMs
2838095
Specdb::MsMs
2867505
Specdb::MsMs
2867506
Specdb::MsMs
2867507
HMDB41618
#<Reference:0x00005556753bf4e0>
estery
mild