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4-(Ethoxymethyl)phenol

4-(Ethoxymethyl)phenol structure

CAS No:
57726-26-8
Formula:
C9H12O2
Chemical Name:
4-(Ethoxymethyl)phenol
Synonyms:
Phenol,4-(ethoxymethyl)-;p-Cresol,α-ethoxy-;4-(Ethoxymethyl)phenol;α-Ethoxy-p-cresol;p-Hydroxybenzyl ethyl ether;Ethyl 4-hydroxybenzyl ether;4-Hydroxybenzyl ethyl ether
Categories:
Natural Products > Phenols

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Description

4-(Ethoxymethyl)phenol is a benzyl ether.

4-(Ethoxymethyl)phenol Basic Attributes

Molecular Weight：

152.19038

Exact Mass：

152.19

EC Number：

260-918-4

DSSTox ID：

DTXSID20206426

Characteristics

PSA：

29.5

XLogP3：

1.2

Density：

1.1±0.1 g/cm3

Melting Point：

50-51 °C

Boiling Point：

105 °C @ Press: 0.8 Torr

Flash Point：

98.2±14.6 °C

Refractive Index：

1.526

Water Solubility：

8422 mg/L @ 25 °C (est)

Drug Information

MeSH Entry Terms：

4-ethoxymethylphenol

4-(Ethoxymethyl)phenol Use and Manufacturing

Methods of Manufacturing

Regarding Example 2, instead of methanol, the same operation as in was carried out except that ethanol was used. The residue was purified under reduced pressure distillation (boiling point: 110-119 ° C./1.5 Torr) to give 4-ethoxymethylphenol. Yield is 75percent. HPLC purity was 98percent.

Use Classification：

Food additives -> Flavoring Agents

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:152.19
XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:152.083729621
Monoisotopic Mass:152.083729621
Topological Polar Surface Area:29.5
Heavy Atom Count:11
Complexity:95.7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes