Methylparaben

Base Information Edit

Chemical Name:Methylparaben
CAS No.:99-76-3
Deprecated CAS:1000398-37-7,156291-94-0,58339-84-7,58339-84-7
Molecular Formula:C8H8O3
Molecular Weight:152.15
Hs Code.:29182930
European Community (EC) Number:243-171-5
NSC Number:406127,3827
UNII:A2I8C7HI9T
DSSTox Substance ID:DTXSID4022529
Nikkaji Number:J3.996I
Wikipedia:Methylparaben
Wikidata:Q229987
NCI Thesaurus Code:C76720
RXCUI:29903
Pharos Ligand ID:AYT63ZDRP3G6
Metabolomics Workbench ID:45617
ChEMBL ID:CHEMBL325372
Mol file:99-76-3.mol

Synonyms:4-hydroxybenzoic acid methyl ester;methyl p-hydroxybenzoate;methyl-4-hydroxybenzoate;methylparaben;methylparaben, sodium salt;Nipagin

Suppliers and Price of Methylparaben

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
Methyl4-?Hydroxybenzoate(MethylParaben)
250g
$ 305.00

TCI Chemical
Methyl 4-Hydroxybenzoate [for Biochemical Research] >99.0%(HPLC)(T)
25g
$ 55.00

TCI Chemical
Methyl 4-Hydroxybenzoate >99.0%(HPLC)(T)
500g
$ 50.00

TCI Chemical
Methyl 4-Hydroxybenzoate >99.0%(HPLC)(T)
25g
$ 18.00

TCI Chemical
Methyl 4-Hydroxybenzoate [for Biochemical Research] >99.0%(HPLC)(T)
5g
$ 25.00

Sigma-Aldrich
Methyl Paraben Pharmaceutical Secondary Standard; Certified Reference Material
10g
$ 427.00

Sigma-Aldrich
Methyl 4-hydroxybenzoate ≥99%, FCC
5 kg
$ 401.00

Sigma-Aldrich
Methyl 4-hydroxybenzoate ≥99%, FCC
5kg-k
$ 389.00

Sigma-Aldrich
Methyl 4-hydroxybenzoate EMPROVE? ESSENTIAL Ph Eur,BP,JP,NF,FCC
20 kg
$ 626.00

Sigma-Aldrich
Methyl 4-hydroxybenzoate ≥99%, FCC
10 kg
$ 608.00

Total 322 raw suppliers

Chemical Property of Methylparaben Edit

Chemical Property:

Appearance/Colour:white crystalline powder
Vapor Pressure:3.65E-05mmHg at 25°C
Melting Point:125-128 °C(lit.)
Refractive Index:1.4447 (estimate)
Boiling Point:265.5 °C at 760 mmHg
PKA:pKa 8.15(H2O,t =20.0) (Uncertain)
Flash Point:116.4 °C
PSA：46.53000
Density:1.209 g/cm³
LogP:1.17880
Storage Temp.:0-6°C
Solubility.:ethanol: soluble0.1M, clear, colorless
Water Solubility.:Slightly soluble in water.
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:152.047344113
Heavy Atom Count:11
Complexity:136

Purity/Quality:

99% ^*data from raw suppliers

Methyl4-?Hydroxybenzoate(MethylParaben) ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi,Xn
Hazard Codes:Xi,Xn
Statements: 36/37/38-20/21/22-36
Safety Statements: 26-36-24/25-39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Chemical Classes:Other Uses -> Preservatives
Canonical SMILES:COC(=O)C1=CC=C(C=C1)O
Chemical Properties and Occurrence Methylparaben (MPB) is an alkyl ester of p-hydroxybenzoic acid (PHBA). Widely used as a preservative in food, pharmaceuticals, and personal care products.
Detected in various environmental matrices, including surface water, groundwater, drinking water, sewage, air, dust, and human urine. The high solubility of MPB contributes to its widespread occurrence in aquatic systems and human urine.
Removal Methods Methylparaben can be effectively removed by Fenton-based processes from synthetic and real water, offering a potential remediation strategy for water treatment.
Biological Production and Utilization While often assumed to be of synthetic origin, methylparaben is part of the natural metabolome of some organisms.
Certain bacteria and plants can produce and utilize methylparaben for antimicrobial purposes.
Methylparaben is used in chemical communication systems by certain species, such as honeybee queens and beetles.

Technology Process of Methylparaben

There total 173 articles about Methylparaben which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 75.0%

: 99-96-7
4-hydroxy-benzoic acid

: 119-36-8,8024-54-2
methyl salicylate

: 99-76-3,156291-94-0
methyl 4-hydroxylbenzoate

: 69-72-7,25496-36-0,8052-31-1
salicylic acid

Guidance literature:: 4-hydroxy-benzoic acid; With potassium carbonate; In N,N-dimethyl acetamide; at 110 ℃; for 0.5h;

methyl salicylate; at 110 ℃; for 24h;
DOI:10.1055/s-0033-1340285