1.0
2010-04-08 22:12:19 UTC
2019-11-26 03:12:55 UTC
FDB016236
Citronellyl pentanoate
Flavouring ingredient. Constituent of Boronia citriodora essence. Citronellyl pentanoate is found in herbs and spices.
3,7-Dimethyl-6-octen-1-yl pentanoate
3,7-Dimethyl-6-octen-1-yl valerate
3,7-Dimethyloct-6-enyl valerate
Citronellyl pentanoate
Citronellyl valerate
E469
FEMA 2317
Pentanoic acid, 3,7-dimethyl-6-octen-1-yl ester
Pentanoic acid, 3,7-dimethyl-6-octenyl ester
Valeric acid, 3,7-dimethyl-6-octen-1-yl ester
C15H28O2
240.3816
240.20893014
7540-53-6
CCCCC(=O)OCCC(C)CCC=C(C)C
InChI=1S/C15H28O2/c1-5-6-10-15(16)17-12-11-14(4)9-7-8-13(2)3/h8,14H,5-7,9-12H2,1-4H3
PFOJEJPZUVQHEH-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
Acyclic monoterpenoids
Carbonyl compounds
Carboxylic acid esters
Fatty acid esters
Hydrocarbon derivatives
Monocarboxylic acids and derivatives
Organic oxides
Acyclic monoterpenoid
Aliphatic acyclic compound
Carbonyl group
Carboxylic acid derivative
Carboxylic acid ester
Fatty acid ester
Fatty alcohol ester
Hydrocarbon derivative
Monocarboxylic acid or derivatives
Monoterpenoid
Organic oxide
Organic oxygen compound
Organooxygen compound
average_mass
240.3816
mono_mass
240.20893014
smiles
CCCCC(=O)OCCC(C)CCC=C(C)C
formula
C15H28O2
inchi
InChI=1S/C15H28O2/c1-5-6-10-15(16)17-12-11-14(4)9-7-8-13(2)3/h8,14H,5-7,9-12H2,1-4H3
inchikey
PFOJEJPZUVQHEH-UHFFFAOYSA-N
Specdb::CMs
12114
Specdb::CMs
28368
Specdb::CMs
101866
Specdb::CMs
167806
Specdb::MsMs
65982
Specdb::MsMs
65983
Specdb::MsMs
65984
Specdb::MsMs
123441
Specdb::MsMs
123442
Specdb::MsMs
123443
Specdb::MsMs
2330601
Specdb::MsMs
2330602
Specdb::MsMs
2330603
Specdb::MsMs
2635786
Specdb::MsMs
2635787
Specdb::MsMs
2635788
HMDB37229
#<Reference:0x00005556762f80b0>
Herbs and Spices
Unknown
generic
herb
herbal
honey
rose
warm