1.0
2010-04-08 22:15:43 UTC
2018-05-29 01:51:25 UTC
FDB021463
4-Isopropylphenylacetaldehyde
It is used in perfumery and food flavouring
(P-Isopropylphenyl)-acetaldehyde
4-(1-Methylethyl)-benzeneacetaldehyde
4-(1-Methylethyl)benzeneacetaldehyde
4-(1-Methylethyl)benzeneacetaldehyde, 9CI
4-Isopropyl phenylacetaldehyde
Acetaldehyde, (p-isopropylphenyl)-
Benzeneacetaldehyde, 4-(1-methylethyl)-
Cortexal
Cuminic acetaldehyde
Cumyl acetaldehyde
Cumylacetaldehyde
FEMA 2954
Homocuminic aldehyde
Isopropylphenylacetaldehyde, p-
p-Cymene-7-carboxaldehyde
p-Cymene-7-carboxaldehyde, 8CI
P-isopropylphenylacetaldehyde
C11H14O
162.2283
162.10446507
2-[4-(propan-2-yl)phenyl]acetaldehyde
4-isopropyl phenylacetaldehyde
4395-92-0
CC(C)C1=CC=C(CC=O)C=C1
InChI=1S/C11H14O/c1-9(2)11-5-3-10(4-6-11)7-8-12/h3-6,8-9H,7H2,1-2H3
FSKGFRBHGXIDSA-UHFFFAOYSA-N
logp
3.18
logs
-3.27
solubility
8.63e-02 g/l
logp
2.7
pka_strongest_acidic
15.09
pka_strongest_basic
-7
iupac
2-[4-(propan-2-yl)phenyl]acetaldehyde
average_mass
162.2283
mono_mass
162.10446507
smiles
CC(C)C1=CC=C(CC=O)C=C1
formula
C11H14O
inchi
InChI=1S/C11H14O/c1-9(2)11-5-3-10(4-6-11)7-8-12/h3-6,8-9H,7H2,1-2H3
inchikey
FSKGFRBHGXIDSA-UHFFFAOYSA-N
polar_surface_area
17.07
refractivity
50.63
polarizability
18.99
rotatable_bond_count
3
acceptor_count
1
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::MsIr
9270
Specdb::MsIr
9271
Specdb::CMs
21877
Specdb::CMs
169276
Specdb::MsMs
57975
Specdb::MsMs
57976
Specdb::MsMs
57977
Specdb::MsMs
113802
Specdb::MsMs
113803
Specdb::MsMs
113804
Specdb::MsMs
2466776
Specdb::MsMs
2466777
Specdb::MsMs
2466778
Specdb::MsMs
2496179
Specdb::MsMs
2496180
Specdb::MsMs
2496181
HMDB41493
#<Reference:0x00005556760447d8>
aldehydic
cortex
cumin
earthy
fern
green