1.0
2010-04-08 22:09:10 UTC
2015-07-20 22:33:01 UTC
FDB010512
Butylparaben
Preservative and flavouring agent
4-(Butoxycarbonyl)phenol
4-Hydroxybenzoic acid butyl ester
4-Hydroxybenzoic acid, butyl ester
Aseptoform butyl
Benzoic acid, 4-hydroxy-, butyl ester
Benzoic acid, p-hydroxy-, butyl ester
Butoben
Butyl //p//-hydroxybenzoate
Butyl 4-hydroxybenzoate
Butyl butex
Butyl chemosept
Butyl p-hydroxybenzoate
Butyl par asept
Butyl paraben
Butyl parahydroxybenzoate
Butyl parahydroxybenzoate (JP15)
Butyl parahydroxybenzoate (TN)
Butyl parasept
Butyl tegosept
Butyl-p-hydroxybenzoate
Butyl-parasept
Butylparaben
Butylparaben (NF)
Butylparaben (TN)
Butylparaben [usan]
FEMA 2203
Lexgard b
n-butyl 4-hydroxybenzoate
N-butyl hydroxybenzoate
N-butyl p-hydroxybenzoate
N-butyl paraben
N-butyl parahydroxybenzoate
n-Butyl-4-hydroxybenzoate
N-butyl-p-hydroxybenzoate
N-butyl-paraben
Nipabutyl
P-hydroxy butyl benzoate
P-hydroxybenzoic acid butyl ester
P-hydroxybenzoic acid n-butyl ester
P-hydroxybenzoic acid, butyl ester
P-hydroxybenzoic butyl ester
Parasept
Preserval b
Solbrol b
SPF
Tegosept B
Tegosept butyl
C11H14O3
194.2271
194.094294314
butyl 4-hydroxybenzoate
butylparaben
94-26-8
CCCCOC(=O)C1=CC=C(O)C=C1
InChI=1S/C11H14O3/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9/h4-7,12H,2-3,8H2,1H3
QFOHBWFCKVYLES-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
logp
3.81
logs
-2.62
solubility
4.66e-01 g/l
melting_point
Mp 68-69°
logp
3
pka_strongest_acidic
8.5
pka_strongest_basic
-6.1
iupac
butyl 4-hydroxybenzoate
average_mass
194.2271
mono_mass
194.094294314
smiles
CCCCOC(=O)C1=CC=C(O)C=C1
formula
C11H14O3
inchi
InChI=1S/C11H14O3/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9/h4-7,12H,2-3,8H2,1H3
inchikey
QFOHBWFCKVYLES-UHFFFAOYSA-N
polar_surface_area
46.53
refractivity
53.94
polarizability
21.45
rotatable_bond_count
5
acceptor_count
2
donor_count
1
physiological_charge
0
formal_charge
0
Specdb::EiMs
811
Specdb::NmrOneD
2712
Specdb::NmrOneD
3404
Specdb::CMs
24130
Specdb::CMs
26765
Specdb::CMs
29798
Specdb::CMs
42854
Specdb::CMs
101187
Specdb::CMs
101188
Specdb::CMs
156223
Specdb::MsIr
5561
Specdb::MsIr
5562
Specdb::MsIr
5563
Specdb::MsMs
6641
Specdb::MsMs
6642
Specdb::MsMs
6643
Specdb::MsMs
13313
Specdb::MsMs
13314
Specdb::MsMs
13315
Specdb::MsMs
439344
Specdb::MsMs
439345
Specdb::MsMs
439346
Specdb::MsMs
439347
Specdb::MsMs
440636
Specdb::MsMs
440693
Specdb::MsMs
440694
Specdb::MsMs
440695
Specdb::MsMs
440696
Specdb::MsMs
449091
Specdb::MsMs
449092
Specdb::MsMs
449093
Specdb::MsMs
449094
Specdb::MsMs
452472
Specdb::MsMs
452473
Specdb::MsMs
452474
Specdb::MsMs
452475
Specdb::MsMs
2227334
Specdb::MsMs
2227366
HMDB32575
#<Reference:0x00005556749fdc68>
#<Reference:0x00005556749fda10>
phenolic
very faint