1.0
2010-04-08 22:09:10 UTC
2019-11-26 03:03:41 UTC
FDB010509
Methylparaben
Antimicrobial agent, preservative, flavouring agent. Constituent of cloudberry, yellow passion fruit, white wine, botrytised wine and Bourbon vanilla. Methylparaben is found in saffron, alcoholic beverages, and fruits.
4-(Methoxycarbonyl)phenol
4-Hydroxybenzoate methyl ester
4-hydroxybenzoic acid methyl ester
Benzoic acid, 4-hydroxy-, methyl ester
Benzoic acid, p-hydroxy-, methyl ester
e 218
E218
E219 (Na salt)
FEMA 2710
FEMA no. 2710
INS no. 218
INS number 218
Maseptol
Metaben
Methaben
Methyl 4-hydroxybenzoate
Methyl butex
Methyl chemosept
Methyl ester of p-hydroxybenzoic acid
Methyl p-hydroxybenzoate
Methyl P-hydroxybenzoic acid
Methyl p-oxybenzoate
Methyl paraben
Methyl parahydroxybenzoate
Methyl parahydroxybenzoic acid
Methyl parasept
Methyl-p-hydroxybenzoate
Methylparaben
Metoxyde
Moldex
Nipagin
Nipagin M
P-carbomethoxyphenol
P-Hydroxybenzoate methyl ester
P-hydroxybenzoic acid methyl ester
P-hydroxybenzoic acid, methyl ester
P-hydroxybenzoic methyl ester
P-methoxycarbonylphenol
P-Oxybenzoesauremethylester
Paridol
Preserval
Septos
Solbrol
Tegosept M
C8H8O3
152.1473
152.047344122
methyl 4-hydroxybenzoate
paraben
99-76-3
COC(=O)C1=CC=C(O)C=C1
InChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3
LXCFILQKKLGQFO-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
Hydrocarbon derivatives
Methyl esters
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
Methyl ester
Monocarboxylic acid or derivatives
Organic oxide
Organic oxygen compound
Organooxygen compound
P-hydroxybenzoic acid alkyl ester
Phenol
4-hydroxybenzoate ester
paraben
logp
2.17
logs
-1.62
solubility
3.69e+00 g/l
melting_point
Mp 131° (127-129°)
logp
1.67
pka_strongest_acidic
8.5
pka_strongest_basic
-6.1
iupac
methyl 4-hydroxybenzoate
average_mass
152.1473
mono_mass
152.047344122
smiles
COC(=O)C1=CC=C(O)C=C1
formula
C8H8O3
inchi
InChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3
inchikey
LXCFILQKKLGQFO-UHFFFAOYSA-N
polar_surface_area
46.53
refractivity
40.06
polarizability
15.15
rotatable_bond_count
2
acceptor_count
2
donor_count
1
physiological_charge
0
formal_charge
0
Specdb::EiMs
783
Specdb::MsIr
5552
Specdb::MsIr
5553
Specdb::MsIr
5554
Specdb::NmrOneD
2746
Specdb::NmrOneD
3440
Specdb::NmrOneD
113938
Specdb::NmrOneD
113939
Specdb::NmrOneD
113940
Specdb::NmrOneD
113941
Specdb::NmrOneD
113942
Specdb::NmrOneD
113943
Specdb::NmrOneD
113944
Specdb::NmrOneD
113945
Specdb::NmrOneD
113946
Specdb::NmrOneD
113947
Specdb::NmrOneD
113948
Specdb::NmrOneD
113949
Specdb::NmrOneD
113950
Specdb::NmrOneD
113951
Specdb::NmrOneD
113952
Specdb::NmrOneD
113953
Specdb::NmrOneD
113954
Specdb::NmrOneD
113955
Specdb::NmrOneD
113956
Specdb::NmrOneD
113957
Specdb::CMs
14698
Specdb::CMs
26760
Specdb::CMs
27341
Specdb::CMs
27761
Specdb::CMs
42851
Specdb::CMs
101180
Specdb::CMs
101181
Specdb::CMs
101182
Specdb::CMs
165026
Specdb::MsMs
57486
Specdb::MsMs
57487
Specdb::MsMs
57488
Specdb::MsMs
113166
Specdb::MsMs
113167
Specdb::MsMs
113168
Specdb::MsMs
2236662
Specdb::MsMs
2236697
Specdb::MsMs
2238751
Specdb::MsMs
2238856
Specdb::MsMs
2240720
Specdb::MsMs
2240952
Specdb::MsMs
2242859
Specdb::MsMs
2243005
Specdb::MsMs
2249184
Specdb::MsMs
2249213
Specdb::MsMs
2259131
Specdb::MsMs
2259452
Specdb::MsMs
2299686
Specdb::MsMs
2299687
Specdb::MsMs
2299688
Specdb::MsMs
2638456
Specdb::MsMs
2638457
Specdb::MsMs
2638458
HMDB32572
MPB
#<Reference:0x00005556755fc320>
#<Reference:0x00005556755fc168>
Alcoholic beverages
Unknown
generic
Fruits
Unknown
generic
Saffron
Type 1
specific
Crocus sativus
82528
odorless