1.0
2010-04-08 22:11:33 UTC
2019-11-26 03:11:00 UTC
FDB014946
Neryl acetate
Found in citrus, kumquat and pummelo peel oils, ginger, cardamon, clary sage, myrtle leaf and myrtle berries. Flavouring agent
(2Z)-3,7-Dimethyl-2,6-octadienyl acetate
(Z)-3,7-Dimethyl-2,6-octadienyl acetate
3,7-Dimethyl-1-acetate(2e)-2,6-octadien-1-ol
3,7-Dimethyl-1-acetate(2Z)-2,6-octadien-1-ol
3,7-Dimethyl-acetate(2e)-2,6-octadien-1-ol
3,7-Dimethyl-acetate(2Z)-2,6-octadien-1-ol
3,7-Dimethyl-acetate(e)-2,6-octadien-1-ol
3,7-Dimethyl-acetatetrans-2,6-octadien-1-ol
3,7-Dimethylocta-2,6-dienyl acetate
cis-3,7-Dimethyl-2,6-octadien-1-yl acetate
cis-3,7-Dimethyl-2,6-octadien-1-yl ethanoate
Cis-geranyl acetate
FEMA 2773
Linalyl, neryl, geranyl acetates, mixture
Neryl acetate
trans-3,7-Dimethyl-2,6-octadien-1-yl ethanoate
C12H20O2
196.286
196.146329884
(2Z)-3,7-dimethylocta-2,6-dien-1-yl acetate
neryl acetate
105-87-3
CC(C)=CCC\C(C)=C/COC(C)=O
InChI=1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3/b11-8-
HIGQPQRQIQDZMP-FLIBITNWSA-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
4.11
logs
-3.01
solubility
1.90e-01 g/l
melting_point
< 25 oC
logp
2.94
pka_strongest_basic
-7
iupac
(2Z)-3,7-dimethylocta-2,6-dien-1-yl acetate
average_mass
196.286
mono_mass
196.146329884
smiles
CC(C)=CCC\C(C)=C/COC(C)=O
formula
C12H20O2
inchi
InChI=1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3/b11-8-
inchikey
HIGQPQRQIQDZMP-FLIBITNWSA-N
polar_surface_area
26.3
refractivity
60.33
polarizability
23.66
rotatable_bond_count
6
acceptor_count
1
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::CMs
15329
Specdb::CMs
28675
Specdb::CMs
28830
Specdb::CMs
28970
Specdb::CMs
101711
Specdb::CMs
101712
Specdb::CMs
101713
Specdb::CMs
103771
Specdb::MsMs
82212
Specdb::MsMs
82213
Specdb::MsMs
82214
Specdb::MsMs
143517
Specdb::MsMs
143518
Specdb::MsMs
143519
HMDB35157
#<Reference:0x0000555675e7d788>
Cardamom
Type 1
specific
Elettaria cardamomum
105181
Celery stalks
Type 1
specific
Apium graveolens var. dulce
117781
Citrus
Unknown
generic
Common oregano
Type 1
specific
Origanum vulgare
39352
Common persimmon
Type 1
specific
Diospyros virginiana
13493
Coriander
Type 1
specific
Coriandrum sativum
4047
Fruits
Unknown
generic
Herbs and Spices
Unknown
generic
Lemon
Type 1
specific
Citrus limon
2708
16.3
16.3
16.3
mg/100 g
Lemon balm
Type 1
specific
Melissa officinalis
39338
Lime
Type 1
specific
Citrus aurantiifolia
159033
15.55
15.55
15.55
mg/100 g
Mandarin orange (Clementine, Tangerine)
Type 1
specific
Citrus reticulata
85571
0.55
0.55
0.55
mg/100 g
Mango
Type 1
specific
Mangifera indica
29780
Mugwort
Type 1
specific
Artemisia vulgaris
4220
Nutmeg
Type 1
specific
Myristica fragrans
51089
Pepper (Spice)
Type 1
specific
Piper nigrum
13216
Pot marjoram
Type 1
specific
Origanum onites
452416
0.0
0.0
0.0
mg/100 g
Spearmint
Type 1
specific
Mentha spicata
29719
35.1
35.1
35.1
mg/100 g
Sweet basil
Type 1
specific
Ocimum basilicum
39350
Sweet bay
Type 1
specific
Laurus nobilis
85223
Sweet marjoram
Type 1
specific
Origanum majorana
268884
Sweet orange
Type 1
specific
Citrus sinensis
2711
1.0
1.0
1.0
mg/100 g
Wild celery
Type 1
specific
Apium graveolens
4045
blossom
citrus
dewy
floral
fruit
grapefruit
lime
pear
rose
soapy
anti flu
284
A substance that destroys or inhibits replication of viruses.
anti viral
689
A substance that destroys or inhibits replication of viruses.
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.
pesticide
1210
Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.