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Methyl-p-hydroxybenzoate 99% Extrapure

CAT: 1278-01737 00500Size: 500 gDry Ice: NoHazardous: No
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CAT#:1278-01737 00500Size:500 g
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CAS Number
99-76-3
HS Code
29183090
Packaging Group
PB

Chemical Information

Methylparaben

Methylparaben is a 4-hydroxybenzoate ester resulting from the formal condensation of the carboxy group of 4-hydroxybenzoic acid with methanol. It is the most frequently used antimicrobial preservative in cosmetics. It occurs naturally in several fruits, particularly in blueberries. It has a role as an antifungal agent, a neuroprotective agent, an antimicrobial food preservative and a plant metabolite.

CAS Number99-76-3
PubChem CID7456
IUPAC Namemethyl 4-hydroxybenzoate
Molecular FormulaC8H8O3
Molecular Weight152.15
XLogP2
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity136
SMILES
COC(=O)C1=CC=C(C=C1)O
InChI
InChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3
InChIKey
LXCFILQKKLGQFO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methylparaben
CAS: 99-76-3
CID: 7456
Formula: C8H8O3
MW: 152.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight152.15
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass152.047344113
Monoisotopic Mass152.047344113
Topological Polar Surface Area46.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity136
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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