1.0
2011-09-26 22:53:51 UTC
2015-07-21 07:00:04 UTC
FDB029662
ethyl 4-hydroxybutanoate
Flavouring compound [Flavornet]
C6H12O3
132.1577
132.07864425
999-10-0
CCOC(=O)CCCO
InChI=1S/C6H12O3/c1-2-9-6(8)4-3-5-7/h7H,2-5H2,1H3
AYPJVXQBVHCUCJ-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
Hydrocarbon derivatives
Monocarboxylic acids and derivatives
Organic oxides
Primary alcohols
Alcohol
Aliphatic acyclic compound
Carbonyl group
Carboxylic acid derivative
Carboxylic acid ester
Fatty acid ester
Hydrocarbon derivative
Monocarboxylic acid or derivatives
Organic oxide
Organic oxygen compound
Organooxygen compound
Primary alcohol
average_mass
132.1577
mono_mass
132.07864425
smiles
CCOC(=O)CCCO
formula
C6H12O3
inchi
InChI=1S/C6H12O3/c1-2-9-6(8)4-3-5-7/h7H,2-5H2,1H3
inchikey
AYPJVXQBVHCUCJ-UHFFFAOYSA-N
Specdb::CMs
2487
Specdb::MsMs
180579
Specdb::MsMs
180580
Specdb::MsMs
180581
Specdb::MsMs
3607087
Specdb::MsMs
3607088
Specdb::MsMs
3607089
Specdb::MsMs
178263
Specdb::MsMs
178264
Specdb::MsMs
178265
Specdb::MsMs
3607084
Specdb::MsMs
3607085
Specdb::MsMs
3607086
Specdb::NmrOneD
344188
Specdb::NmrOneD
344189
Specdb::NmrOneD
344190
Specdb::NmrOneD
344191
Specdb::NmrOneD
344192
Specdb::NmrOneD
344193
Specdb::NmrOneD
344194
Specdb::NmrOneD
344195
Specdb::NmrOneD
344196
Specdb::NmrOneD
344197
Specdb::NmrOneD
344198
Specdb::NmrOneD
344199
Specdb::NmrOneD
344200
Specdb::NmrOneD
344201
Specdb::NmrOneD
344202
Specdb::NmrOneD
344203
Specdb::NmrOneD
344204
Specdb::NmrOneD
344205
Specdb::NmrOneD
344206
Specdb::NmrOneD
344207
caramel