1.0
2010-04-08 22:08:14 UTC
2019-11-26 03:03:08 UTC
FDB008757
alpha-Terpinyl propanoate
Flavouring agent. alpha-Terpinyl propanoate is found in wild celery and lemon.
α-terpinyl ester of propanoic acid
α-terpinyl propionate
1-Methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl propionate
4-Terpinenyl ester of propanoic acid
a-Terpineol propanoate
alpha -Terpinyl ester OF propanoic acid
alpha -Terpinyl propionate
alpha-Terpinyl propanoate
alpha,alpha,4-Trimethyl-3-cyclohexene-1-methyl propionate
FEMA 3053
p-Menth-1-en-8-yl propanoate
p-Menth-1-en-8-yl propionate
p-Menth-1-en-8-yl-propionate
P-menthanyl propionate
Propionic acid, terpineol ester
Terpenyl propionate
Terpineol propionate
Terpineol, propanoate
Terpinyl n-propionate
Terpinyl propionate
C13H22O2
210.3126
210.161979948
2-(4-methylcyclohex-3-en-1-yl)propan-2-yl propanoate
terpineol, propanoate
80-27-3
CCC(=O)OC(C)(C)C1CCC(C)=CC1
InChI=1S/C13H22O2/c1-5-12(14)15-13(3,4)11-8-6-10(2)7-9-11/h6,11H,5,7-9H2,1-4H3
CMKQOKAXUWQAHG-UHFFFAOYSA-N
logp
4.38
logs
-3.40
solubility
8.35e-02 g/l
logp
3.32
pka_strongest_basic
-7
iupac
2-(4-methylcyclohex-3-en-1-yl)propan-2-yl propanoate
average_mass
210.3126
mono_mass
210.161979948
smiles
CCC(=O)OC(C)(C)C1CCC(C)=CC1
formula
C13H22O2
inchi
InChI=1S/C13H22O2/c1-5-12(14)15-13(3,4)11-8-6-10(2)7-9-11/h6,11H,5,7-9H2,1-4H3
inchikey
CMKQOKAXUWQAHG-UHFFFAOYSA-N
polar_surface_area
26.3
refractivity
62.24
polarizability
25.09
rotatable_bond_count
4
acceptor_count
1
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::CMs
18600
Specdb::CMs
28518
Specdb::CMs
101027
Specdb::CMs
133362
Specdb::CMs
141096
Specdb::MsIr
5057
Specdb::MsIr
5058
Specdb::MsMs
52164
Specdb::MsMs
52165
Specdb::MsMs
52166
Specdb::MsMs
158073
Specdb::MsMs
158074
Specdb::MsMs
158075
Specdb::MsMs
2396868
Specdb::MsMs
2396869
Specdb::MsMs
2396870
Specdb::MsMs
2542289
Specdb::MsMs
2542290
Specdb::MsMs
2542291
HMDB32052
#<Reference:0x0000555670b18f20>
Celery stalks
Type 1
specific
Apium graveolens var. dulce
117781
Lemon
Type 1
specific
Citrus limon
2708
Wild celery
Type 1
specific
Apium graveolens
4045
bitter
citrus
geranium
green
herbal
old wood
tropical