1.0
2010-04-08 22:10:10 UTC
2018-05-28 23:36:49 UTC
FDB012443
2,6-Dimethoxyphenol
Isolated from maople syrup. Flavouring ingredient.
1,3-di-O-methylpyrogallol
1,3-Dimethoxy-2-hydroxybenzene
1,3-Dimethyl pyrogallate
1,3-Dimethyl pyrogallic acid
2-Hydroxy-1,3-dimethoxybenzene
2,6-Dimethoxy-phenol
2,6-Dimethoxyphenol
2,6-Dimethoxyphenol (syringol)
2,6-Dimethoxyphenyl
2,6-Dwumetoksyfenol
Aldrich
Dimethoxyphenol
FEMA 3137
Phenol, 2,6-dimethoxy-
Pyrogallol 1,3-dimethyl ether
Pyrogallol dimethylether
Syringol
C8H10O3
154.1632
154.062994186
2,6-dimethoxyphenol
2,6-dimethoxyphenol
91-10-1
COC1=CC=CC(OC)=C1O
InChI=1S/C8H10O3/c1-10-6-4-3-5-7(11-2)8(6)9/h3-5,9H,1-2H3
KLIDCXVFHGNTTM-UHFFFAOYSA-N
logp
1.29
logs
-0.95
solubility
1.73e+01 g/l
melting_point
Mp 55-56°
logp
1.35
pka_strongest_acidic
9.37
pka_strongest_basic
-4.6
iupac
2,6-dimethoxyphenol
average_mass
154.1632
mono_mass
154.062994186
smiles
COC1=CC=CC(OC)=C1O
formula
C8H10O3
inchi
InChI=1S/C8H10O3/c1-10-6-4-3-5-7(11-2)8(6)9/h3-5,9H,1-2H3
inchikey
KLIDCXVFHGNTTM-UHFFFAOYSA-N
polar_surface_area
38.69
refractivity
40.97
polarizability
15.58
rotatable_bond_count
2
acceptor_count
3
donor_count
1
physiological_charge
0
formal_charge
0
Specdb::CMs
2562
Specdb::CMs
29107
Specdb::CMs
43739
Specdb::CMs
101529
Specdb::CMs
135937
Specdb::CMs
143671
Specdb::MsIr
6432
Specdb::MsIr
6433
Specdb::MsIr
6434
Specdb::MsMs
51768
Specdb::MsMs
51769
Specdb::MsMs
51770
Specdb::MsMs
126165
Specdb::MsMs
126166
Specdb::MsMs
126167
Specdb::MsMs
2840808
Specdb::MsMs
2840809
Specdb::MsMs
2840810
Specdb::MsMs
2865009
Specdb::MsMs
2865010
Specdb::MsMs
2865011
Specdb::NmrOneD
4528
Specdb::NmrOneD
4657
Specdb::NmrOneD
124558
Specdb::NmrOneD
124559
Specdb::NmrOneD
124560
Specdb::NmrOneD
124561
Specdb::NmrOneD
124562
Specdb::NmrOneD
124563
Specdb::NmrOneD
124564
Specdb::NmrOneD
124565
Specdb::NmrOneD
124566
Specdb::NmrOneD
124567
Specdb::NmrOneD
124568
Specdb::NmrOneD
124569
Specdb::NmrOneD
124570
Specdb::NmrOneD
124571
Specdb::NmrOneD
124572
Specdb::NmrOneD
124573
Specdb::NmrOneD
124574
Specdb::NmrOneD
124575
Specdb::NmrOneD
124576
Specdb::NmrOneD
124577
HMDB34158
955
3DM
#<Reference:0x00005556758a9398>
bacon
balsamic
medicine
phenol
phenolic
powdery
smoke
smoky
woody