1.0
2010-04-08 22:14:44 UTC
2019-11-26 03:18:16 UTC
FDB020002
Neryl formate
Food flavouring. Neryl formate is found in lime, lemon, and sweet orange.
(2e)-3,7-Dimethyl-2,6-octadien-1-ol, 1-formate
(e)-3,7-Dimethyl-2,6-octadienyl formate
2,6-Octadien-1-ol, 3,7-dimethyl-, 1-formate, (2Z)-
2,6-Octadien-1-ol, 3,7-dimethyl-, formate, (2Z)-
2,6-Octadien-1-ol, 3,7-dimethyl-, formate, (Z)-
3,7-Dimethyl-1-formate(2e)-2,6-octadien-1-ol
3,7-Dimethyl-2,6-octadien-1-yl formate, cis-
3,7-Dimethyl-2,6-octadien-1-yl methanoate, cis-
3,7-Dimethyl-2,6-octadienyl ester(e)-formic acid
3,7-Dimethyl-2,6-octadienyl formate, (Z)-
3,7-Dimethyl-formate(2e)-2,6-octadien-1-ol
3,7-Dimethyl-formate(e)-2,6-octadien-1-ol
cis-3,7-Dimethyl-2,6-octadien-1-ol formate
FEMA 2776
Formic acid, geraniol ester
Formic acid, neryl ester
Neryl 2-methylpropanoate
Neryl formate
Neryl methanoate
C11H18O2
182.2594
182.13067982
(2Z)-3,7-dimethylocta-2,6-dien-1-yl formate
(2Z)-3,7-dimethylocta-2,6-dien-1-yl formate
105-86-2
CC(C)=CCC\C(C)=C/COC=O
InChI=1S/C11H18O2/c1-10(2)5-4-6-11(3)7-8-13-9-12/h5,7,9H,4,6,8H2,1-3H3/b11-7-
FQMZVFJYMPNUCT-XFFZJAGNSA-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
Hydrocarbon derivatives
Monocarboxylic acids and derivatives
Organic oxides
Acyclic monoterpenoid
Aliphatic acyclic compound
Carbonyl group
Carboxylic acid derivative
Carboxylic acid ester
Fatty alcohol ester
Hydrocarbon derivative
Monocarboxylic acid or derivatives
Monoterpenoid
Organic oxide
Organic oxygen compound
Organooxygen compound
Wax monoesters
logp
3.73
logs
-2.77
solubility
3.07e-01 g/l
logp
2.89
pka_strongest_basic
-6.8
iupac
(2Z)-3,7-dimethylocta-2,6-dien-1-yl formate
average_mass
182.2594
mono_mass
182.13067982
smiles
CC(C)=CCC\C(C)=C/COC=O
formula
C11H18O2
inchi
InChI=1S/C11H18O2/c1-10(2)5-4-6-11(3)7-8-13-9-12/h5,7,9H,4,6,8H2,1-3H3/b11-7-
inchikey
FQMZVFJYMPNUCT-XFFZJAGNSA-N
polar_surface_area
26.3
refractivity
55.84
polarizability
21.55
rotatable_bond_count
6
acceptor_count
1
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::MsIr
6821
Specdb::MsIr
6822
Specdb::CMs
11622
Specdb::CMs
28343
Specdb::CMs
101710
Specdb::CMs
152429
Specdb::MsMs
85746
Specdb::MsMs
85747
Specdb::MsMs
85748
Specdb::MsMs
147888
Specdb::MsMs
147889
Specdb::MsMs
147890
Specdb::MsMs
2773451
Specdb::MsMs
2773452
Specdb::MsMs
2773453
Specdb::MsMs
2905383
Specdb::MsMs
2905384
Specdb::MsMs
2905385
HMDB35156
#<Reference:0x00005556742b1950>
Lemon
Type 1
specific
Citrus limon
2708
2.0
2.0
2.0
mg/100 g
Lime
Type 1
specific
Citrus aurantiifolia
159033
2.0
2.0
2.0
mg/100 g
Sweet orange
Type 1
specific
Citrus sinensis
2711
1.0
1.0
1.0
mg/100 g
fruity
geranium
green
herbal
rose
tea
flavor
936
A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.
perfumery
1206
A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.