1.0
2010-04-08 22:09:10 UTC
2015-07-20 22:33:01 UTC
FDB010511
Propylparaben
Antimicrobial agent, preservative, flavouring agent
4-Hydroxybenzoate propyl ester
4-Hydroxybenzoate, propyl ester
4-hydroxybenzoic acid propyl ester
4-Hydroxybenzoic acid propylester
4-Hydroxybenzoic acid, propyl ester
Aseptoform p
Benzoic acid, 4-hydroxy-, propyl ester
Benzoic acid, p-hydroxy-, propyl ester
Betacide p
Betacine p
Chemacide PK
Chemocide PK
Chemoside PK
E216
E217 (Na salt)
FEMA 2951
Lexgard p
n-Propyl 4-hydroxybenzoate
N-Propyl 4-hydroxybenzoic acid
N-propyl p-hydroxybenzoate
N-Propyl P-hydroxybenzoic acid
N-propyl-p-hydroxybenzoate
N-propylparaben
Nipagin p
Nipasol
P-Hydroxybenzoate propyl ester
P-hydroxybenzoic acid n-propyl ester
P-hydroxybenzoic acid propyl ester
P-hydroxybenzoic acid, propyl ester
P-hydroxybenzoic propyl ester
P-hydroxypropyl benzoate
P-Hydroxypropyl benzoic acid
P-Oxybenzoesaeurepropylester
Propagin
Propyl 4-hydroxybenzoate
Propyl aseptoform
Propyl butex
Propyl chemosept
Propyl chemsept
Propyl p-hydroxybenzoate
Propyl P-hydroxybenzoic acid
Propyl paraben
Propyl parahydroxybenzoate
Propyl parahydroxybenzoic acid
Propyl parasept
Propyl-4-hydroxybenzoate
Propyl-paraben
Propylparaben
Propylparaben, USAN
Propylparasept
Protaben p
Solbrol P
Tegosept p
C10H12O3
180.2005
180.07864425
propyl 4-hydroxybenzoate
propylparaben
94-13-3
CCCOC(=O)C1=CC=C(O)C=C1
InChI=1S/C10H12O3/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H3
QELSKZZBTMNZEB-UHFFFAOYSA-N
belongs to the class of organic compounds known as p-hydroxybenzoic acid alkyl esters. These are aromatic compounds containing a benzoic acid, which is esterified with an alkyl group and para-substituted with a hydroxyl group.
p-Hydroxybenzoic acid alkyl esters
Organic compounds
Benzenoids
Benzene and substituted derivatives
Benzoic acids and derivatives
Aromatic homomonocyclic compounds
1-hydroxy-2-unsubstituted benzenoids
Benzoyl derivatives
Carboxylic acid esters
Hydrocarbon derivatives
Monocarboxylic acids and derivatives
Organic oxides
Organooxygen compounds
1-hydroxy-2-unsubstituted benzenoid
Aromatic homomonocyclic compound
Benzoyl
Carboxylic acid derivative
Carboxylic acid ester
Hydrocarbon derivative
Monocarboxylic acid or derivatives
Organic oxide
Organic oxygen compound
Organooxygen compound
P-hydroxybenzoic acid alkyl ester
Phenol
benzoate ester
paraben
phenols
logp
3.28
logs
-2.27
solubility
9.60e-01 g/l
melting_point
Mp 96-97°
logp
2.55
pka_strongest_acidic
8.5
pka_strongest_basic
-6.1
iupac
propyl 4-hydroxybenzoate
average_mass
180.2005
mono_mass
180.07864425
smiles
CCCOC(=O)C1=CC=C(O)C=C1
formula
C10H12O3
inchi
InChI=1S/C10H12O3/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H3
inchikey
QELSKZZBTMNZEB-UHFFFAOYSA-N
polar_surface_area
46.53
refractivity
49.34
polarizability
19.35
rotatable_bond_count
4
acceptor_count
2
donor_count
1
physiological_charge
0
formal_charge
0
Specdb::CMs
17792
Specdb::CMs
26763
Specdb::CMs
42853
Specdb::CMs
101186
Specdb::CMs
154440
Specdb::EiMs
1064
Specdb::NmrOneD
2711
Specdb::NmrOneD
3403
Specdb::MsIr
5558
Specdb::MsIr
5559
Specdb::MsIr
5560
Specdb::MsMs
84987
Specdb::MsMs
84988
Specdb::MsMs
84989
Specdb::MsMs
146973
Specdb::MsMs
146974
Specdb::MsMs
146975
Specdb::MsMs
440638
Specdb::MsMs
2230564
Specdb::MsMs
2235830
Specdb::MsMs
2237531
Specdb::MsMs
2237993
Specdb::MsMs
2239598
Specdb::MsMs
2239983
Specdb::MsMs
2241593
Specdb::MsMs
2241715
Specdb::MsMs
2242027
Specdb::MsMs
2242287
Specdb::MsMs
2243599
Specdb::MsMs
2243856
Specdb::MsMs
2244173
Specdb::MsMs
2244264
Specdb::MsMs
2245850
Specdb::MsMs
2245930
Specdb::MsMs
2246432
Specdb::MsMs
2247779
HMDB32574
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burnt
hawthorn
smoky
sweet
woody