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Home > Encyclopedia > 4-(Hydroxymethyl)benzoic acid

4-(Hydroxymethyl)benzoic acid

4-(Hydroxymethyl)benzoic acid structure

4-(Hydroxymethyl)benzoic acid 

structure
  • CAS No:

    3006-96-0

  • Formula:

    C8H8O3

  • Chemical Name:

    4-(Hydroxymethyl)benzoic acid

  • Synonyms:

    Benzoic acid,4-(hydroxymethyl)-;p-Toluic acid,α-hydroxy-;4-(Hydroxymethyl)benzoic acid;p-(Hydroxymethyl)benzoic acid;α-Hydroxy-p-toluic acid;p-Carboxybenzyl alcohol;4-Carboxybenzyl alcohol

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

Description

Off-white solid

4-(Hydroxymethyl)benzoic acid Basic Attributes

152.15

152.15

9Z28L8STHD

DTXSID40184111

2918199090

Characteristics

57.5

0.9

White to off white powder

1.3±0.1 g/cm3

181-182 °C @ Solvent: Ethyl acetate

140-150 °C @ Press: 9 Torr

178.1±19.7 °C

1.600

2-8ºC

Safety Information

NONH for all modes of transport

3

R36/37/38

S26-S36

Xi: Irritant;

P305 + P351 + P338

H315-H319-H335

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 47 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4-(Hydroxymethyl)benzoic acid Use and Manufacturing

Uses

4-(Hydroxymethyl)benzoic Acid is an intermediate in the synthesis of Eprosartan (E590100), a prototype of the imidazoleacrylic acid angiotensin II receptor antagonists used as an antihypertensive age nt. This linkage reagent for SPPS is essentially acid stable. It is useful in combination with Fmoc-amino acids. Its peptide esters are usually cleaved by basic or nucleophilic reagents, especially by ammonia in the preparation of peptide amides.

Environmental transformation -> Pesticide transformation products (metabolite, successor)

M-16 is a known environmental transformation product of Fenpyroximate.

Computed Properties

Molecular Weight:152.15
XLogP3:0.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:152.047344113
Monoisotopic Mass:152.047344113
Topological Polar Surface Area:57.5
Heavy Atom Count:11
Complexity:136
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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