1.0
2010-04-08 22:10:51 UTC
2015-07-20 23:01:35 UTC
FDB013700
2-(2-Methylpropoxy)naphthalene
Flavouring ingredient
2-(2-Methylpropoxy)-naphthalene
2-(2-Methylpropoxy)naphthalene
2-Isobutoxy-naphthalene
2-Isobutoxynaphthalene
2-naphthyl Isobutyl Ether
Beta-naphthol isobutyl ether
Beta-naphthyl isobutyl ether
Ether, isobutyl(2-naphthyl)
FEMA 3719
Fragarol
Fragarole
Isobutyl 2-naphthyl ether
Isobutyl beta-naphthyl ether
Naphthalene, 2-(2-methylpropoxy)-
Naphthalene, 2-isobutoxy-
Naphthalene, 2-isobutoxy- (7CI,8CI)
Nerolin fragarol
C14H16O
200.2762
200.120115134
2-(2-methylpropoxy)naphthalene
2-(2-methylpropoxy)naphthalene
2173-57-1
CC(C)COC1=CC2=CC=CC=C2C=C1
InChI=1S/C14H16O/c1-11(2)10-15-14-8-7-12-5-3-4-6-13(12)9-14/h3-9,11H,10H2,1-2H3
XOHIHZHSDMWWMS-UHFFFAOYSA-N
belongs to the class of organic compounds known as naphthalenes. Naphthalenes are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
Naphthalenes
Organic compounds
Benzenoids
Naphthalenes
Aromatic homopolycyclic compounds
Alkyl aryl ethers
Hydrocarbon derivatives
Alkyl aryl ether
Aromatic homopolycyclic compound
Ether
Hydrocarbon derivative
Naphthalene
Organic oxygen compound
Organooxygen compound
logp
4.65
logs
-5.00
solubility
1.99e-03 g/l
melting_point
Mp 33°
logp
4.05
pka_strongest_basic
-4.8
iupac
2-(2-methylpropoxy)naphthalene
average_mass
200.2762
mono_mass
200.120115134
smiles
CC(C)COC1=CC2=CC=CC=C2C=C1
formula
C14H16O
inchi
InChI=1S/C14H16O/c1-11(2)10-15-14-8-7-12-5-3-4-6-13(12)9-14/h3-9,11H,10H2,1-2H3
inchikey
XOHIHZHSDMWWMS-UHFFFAOYSA-N
polar_surface_area
9.23
refractivity
62.72
polarizability
23.82
rotatable_bond_count
3
acceptor_count
1
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::CMs
18669
Specdb::CMs
28420
Specdb::CMs
101691
Specdb::CMs
137773
Specdb::CMs
145507
Specdb::MsIr
6791
Specdb::MsIr
6792
Specdb::MsMs
75330
Specdb::MsMs
75331
Specdb::MsMs
75332
Specdb::MsMs
134958
Specdb::MsMs
134959
Specdb::MsMs
134960
Specdb::MsMs
2463030
Specdb::MsMs
2463031
Specdb::MsMs
2463032
Specdb::MsMs
2499449
Specdb::MsMs
2499450
Specdb::MsMs
2499451
HMDB35076
#<Reference:0x0000555676151fe0>
blossom
fruity
naphthyl
orange
strawberry
sweet