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266477

Sigma-Aldrich

Methyl 4-(hydroxymethyl)benzoate

98%

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About This Item

Linear Formula:
HOCH2C6H4CO2CH3
CAS Number:
6908-41-4
Molecular Weight:
166.17
EC Number:
230-017-0
MDL number:
MFCD00009984
UNSPSC Code:
12352100
PubChem Substance ID:
24856142
NACRES:
NA.22

Quality Level

100

Assay

98%

form

solid

mp

47-50 °C (lit.)

solubility

chloroform: 25 mg/mL, clear, colorless to faint yellow or tan

functional group

ester
hydroxyl

SMILES string

COC(=O)c1ccc(CO)cc1

InChI

1S/C9H10O3/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-5,10H,6H2,1H3

InChI key

VBWFYEFYHJRJER-UHFFFAOYSA-N

Related Categories

Application

Methyl 4-(hydroxymethyl)benzoate was used in the synthesis of keto acid.

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

JAN Code

266477-10G:
266477-VAR:
266477-BULK:
266477-1G:

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Certificates of Analysis (COA)

Lot/Batch Number
74296PMV
74296PM
01821CH
24630EE
16626CC

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Stefania Colarusso et al.
Bioorganic & medicinal chemistry letters, 12(4), 705-708 (2002-02-15)
N-terminal truncation of the hexapeptide ketoacid 1 gave rise to potent tripeptide inhibitors of the hepatitis C virus NS3 protease/NS4A cofactor complex. Optimization of these tripeptides led to ketoacid 30 with an IC50 of 0.38 microM. The SAR of these

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