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4-(Hydroxymethyl)phenoxyacetic acid structure

4-(Hydroxymethyl)phenoxyacetic acid

4-(Hydroxymethyl)phenoxyacetic acid, with the chemical formula C9H10O4 and CAS registry number 68858-21-9, is a compound known for its potential applications in various fields. This compound, also referred to as hydroxymethylphenoxyacetic acid, is characterized by its hydroxymethyl and phenoxyacetic acid functional groups. It may have uses in the fields of agriculture, pharmaceuticals, and chemical research. Further studies are needed to fully understand its properties and potential applications. View more+
 
1. Names and Identifiers
1.1 Name
4-(Hydroxymethyl)phenoxyacetic acid
1.2 Synonyms
Anti-IMMT antibody produced in rabbit; DKFZp779P1653; HMPA 4-Hydroxymethylphenoxyacetic acid Novabiochem; HydroxyMethyl)phenoxyaceticac; IMMT; MGC111146; P-(HYDROXYMETHYL)PHENOXYACETIC ACID;
1.3 CAS No.
68858-21-9
1.4 CID
194291
1.5 EINECS
000-000-0
1.6 Molecular Formula
C9H10O4
1.7 Inchi
InChI=1S/C9H10O4/c10-5-7-1-3-8(4-2-7)13-6-9(11)12/h1-4,10H,5-6H2,(H,11,12)
1.8 InChkey
VUCNQOPCYRJCGQ-UHFFFAOYSA-N
1.9 Canonical Smiles
C1=CC(=CC=C1CO)OCC(=O)O
1.10 Isomers Smiles
C1=CC(=CC=C1CO)OCC(=O)O
2. Properties
2.1 Appearance
White to off-white powder
2.2 Storage
Keep Cold.
2.3 Chemical Properties
Beige powder
2.4 Color/Form
Off-white
2.5 pKa
3.15±0.10(Predicted)
2.6 StorageTemp
2-8°C
3. Use and Manufacturing
3.1 Description

4-(Hydroxymethyl)phenoxyacetic acid, with the chemical formula C9H10O4, has the CAS number 68858-21-9. It appears as a white to off-white powder with no distinct odor. The basic structure of this compound consists of a phenoxyacetic acid group attached to a hydroxymethyl group. 4-(Hydroxymethyl)phenoxyacetic acid is soluble in water. Safety information regarding this chemical is not available.

Applicable Fields

Herbicide: 4-(Hydroxymethyl)phenoxyacetic acid is used as a herbicide in agricultural applications. Its purpose in this field is to control the growth of unwanted plants. The mechanism of action involves disrupting the plant's hormonal balance, leading to stunted growth and eventual death.

Plant Growth Regulator: This compound is also employed as a plant growth regulator. Its purpose in this field is to promote or inhibit certain physiological processes in plants, such as flowering, fruiting, or root development. The mechanism of action varies depending on the specific application and desired outcome.

Storage

Conditions: Store in a cool and dry place.

3.2 Usage
4-(Hydroxymethyl)phenoxyacetic acid is a linkage agent used in solid-phase peptide synthesis according to the "FMOC-polyamide" technique. 4-(Hydroxymethyl)phenoxyacetic acid Preparation Products And Raw materials Raw materials
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Eye irritation, Category 2

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H315 Causes skin irritation

H319 Causes serious eye irritation

H335 May cause respiratory irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P271 Use only outdoors or in a well-ventilated area.

Response

P302+P352 IF ON SKIN: Wash with plenty of water/...

P321 Specific treatment (see ... on this label).

P332+P313 If skin irritation occurs: Get medical advice/attention.

P362+P364 Take off contaminated clothing and wash it before reuse.

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

Storage

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

5. Synthesis Route
68858-21-9Total: 4 Synthesis Route
 
122-59-8
122-59-8 174 Suppliers
 
68858-21-9
68858-21-9 128 Suppliers
   
68858-21-9
68858-21-9 128 Suppliers
6. Precursor and Product
7. Computed Properties
  • Molecular Weight:182.175g/mol
  • Molecular Formula:C9H10O4
  • Compound Is Canonicalized:True
  • XLogP3-AA:182.05790880
  • Monoisotopic Mass:182.05790880
  • Complexity:161
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:66.8
  • Heavy Atom Count::13
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint:AAADccBwOAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAACAAADASgmAIwDoAABgCIAiDSCAICCAAgIAAIiABGCIgNNiKEMR6CeCCkwBELuAeA4CwOIAAAAAAAAABAAAAAAAAAAAAAAAAAAA==
8.Other Information
Mesh Entry Terms
4-HMPAA
9. Toltal 124 Suppliers View more
Tel: Update Time:2024/11/15
Tel: Update Time:2024/11/15
Tel: Update Time:2023/06/28
Tel: Update Time:2024/06/17
Tel: Update Time:2024/11/15
10. Related Questions
What is the synthesis and application of 4-(Hydroxymethyl)phenoxyacetic acid?4-(Hydroxymethyl)phenoxyacetic acid, also known as 4-(Hydroxymethyl)phenoxyacetic acid, is a grayish-white solid at room temperature and pressure. It has a certain level of acidity and is mainly used ..
11. Realated Product Infomation
 
 
 
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