1.0
2010-04-08 22:08:13 UTC
2015-07-20 22:25:26 UTC
FDB008729
2-Isopropylphenol
Flavouring ingredient
1-Hydroxy-2-isopropylbenzene
1-Hydroxy-3-isopropylbenzene
2-(1-Methylethyl)-phenol
2-(1-Methylethyl)phenol
2-(1-Methylethyl)phenol, 9CI
2-(propan-2-yl)phenol
Cumenol, o-
FEMA 3461
Isopropyl-phenol
Isopropylphenol, o-
Isopropylphenol, ortho
O-cumenol
o-Hydroxycumene
O-Isopropyl-phenol
O-isopropylphenol
Ortho-isopropylphenol
Phenol, 2-(1-methylethyl)-
Phenol, isopropyl-
Phenol, o-isopropyl-
Prodox 131
C9H12O
136.191
136.088815006
2-(propan-2-yl)phenol
2-isopropylphenol
88-69-7
CC(C)C1=CC=CC=C1O
InChI=1S/C9H12O/c1-7(2)8-5-3-4-6-9(8)10/h3-7,10H,1-2H3
CRBJBYGJVIBWIY-UHFFFAOYSA-N
belongs to the class of organic compounds known as cumenes. These are aromatic compounds containing a prop-2-ylbenzene moiety.
Cumenes
Organic compounds
Benzenoids
Benzene and substituted derivatives
Cumenes
Aromatic homomonocyclic compounds
1-hydroxy-2-unsubstituted benzenoids
1-hydroxy-4-unsubstituted benzenoids
Hydrocarbon derivatives
Organooxygen compounds
Phenylpropanes
1-hydroxy-2-unsubstituted benzenoid
1-hydroxy-4-unsubstituted benzenoid
Aromatic homomonocyclic compound
Cumene
Hydrocarbon derivative
Organic oxygen compound
Organooxygen compound
Phenol
Phenylpropane
phenols
Liquid
logp
2.78
logs
-1.64
solubility
3.09e+00 g/l
melting_point
Mp 15-16°
logp
2.91
pka_strongest_acidic
10.5
pka_strongest_basic
-5.2
iupac
2-(propan-2-yl)phenol
average_mass
136.191
mono_mass
136.088815006
smiles
CC(C)C1=CC=CC=C1O
formula
C9H12O
inchi
InChI=1S/C9H12O/c1-7(2)8-5-3-4-6-9(8)10/h3-7,10H,1-2H3
inchikey
CRBJBYGJVIBWIY-UHFFFAOYSA-N
polar_surface_area
20.23
refractivity
42.23
polarizability
15.63
rotatable_bond_count
1
acceptor_count
1
donor_count
1
physiological_charge
0
formal_charge
0
Specdb::EiMs
818
Specdb::MsIr
5026
Specdb::MsIr
5027
Specdb::MsIr
5028
Specdb::CMs
14649
Specdb::CMs
27686
Specdb::CMs
42720
Specdb::CMs
100991
Specdb::CMs
162036
Specdb::NmrOneD
2687
Specdb::NmrOneD
3375
Specdb::NmrOneD
111658
Specdb::NmrOneD
111659
Specdb::NmrOneD
111660
Specdb::NmrOneD
111661
Specdb::NmrOneD
111662
Specdb::NmrOneD
111663
Specdb::NmrOneD
111664
Specdb::NmrOneD
111665
Specdb::NmrOneD
111666
Specdb::NmrOneD
111667
Specdb::NmrOneD
111668
Specdb::NmrOneD
111669
Specdb::NmrOneD
111670
Specdb::NmrOneD
111671
Specdb::NmrOneD
111672
Specdb::NmrOneD
111673
Specdb::NmrOneD
111674
Specdb::NmrOneD
111675
Specdb::NmrOneD
111676
Specdb::NmrOneD
111677
Specdb::MsMs
105213
Specdb::MsMs
105214
Specdb::MsMs
105215
Specdb::MsMs
171669
Specdb::MsMs
171670
Specdb::MsMs
171671
Specdb::MsMs
2336719
Specdb::MsMs
2336720
Specdb::MsMs
2336721
Specdb::MsMs
2628488
Specdb::MsMs
2628489
Specdb::MsMs
2628490
HMDB32029
38506
IP0
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creosote
medicinal
phenolic