Benzyl 3-hydroxyphenyl ether

HCID 138048CAS 3769-41-3

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Basic information

Standard SMILES: Oc1cccc(OCc2ccccc2)c1
InChIKey: FOTVZLOJAIEAOY-UHFFFAOYSA-N
Molecular formula: C13H12O2
Average molar mass: 200.23 g/mol
Monoisotopic mass: 200.08372962

Names & identifiers

Preferred name: Benzyl 3-hydroxyphenyl ether
IUPAC: 3-phenylmethoxyphenol
English name: 3-(Benzyloxy)phenol
Molecular formula: C13H12O2
Molecular weight: 200.23

Names & synonyms

3-(benzyloxy)phenol3769-41-3Benzyl 3-hydroxyphenyl etherDTXSID00191129RefChem:566636DTXCID60113620678-060-83-BenzyloxyphenolPhenol, 3-(phenylmethoxy)-3-phenylmethoxyphenol3-benzyloxy-phenolMFCD00134682

Show more names

3-Aenzyloxyphenol3-(benzloxy)phenolTIMTEC-BB SBB008506M-(BENZYLOXY)PHENOL3-(Benzyloxy)phenol>MONOBENZYL RESOURCINOL3-(Benzyloxy)phenol ,95%

3-Benzyloxy phenol3-(phenylmethoxy)phenolm-PhCH2OC6H4OHResorcinol Monobenzyl EtherDS-5106SY031994AMY28170SCHEMBL384725

Database identifiers

CAS: 3769-41-3
PubChem CID: 138048
DTXSID: DTXSID00191129
EC Number: 678-060-8
Nikkaji: J659.673H

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 175

Physicochemical properties

Melting point: 50 °C · 50°C
Boiling point: 200 °C · 200 °C / 5mmHg
Density: 1.0907 · 1.0907 (rough estimate)
refractive index: 1.5906 · 1.5906 (estimate)
storage temp.: Inert atmosphere,Room Temperature
form: powder to crystal
pka: 9.59 · 9.59±0.10(Predicted)
color: White to Almost white
CAS DataBase Reference: 3769 · 3769-41-3
NIST Chemistry Reference: 3 · Benzyl 3-hydroxyphenyl ether(3769-41-3)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38-41
Safety Statements: 26 · 26-36/37/39-39
HS Code: 29095000 · 29095000

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 29095000
risk_code: 36/37/38-41
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36/37/39-39
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313

Chemistry & industry

Applications

Uses3-(Benzyloxy)phenol is an isomer of benzyloxyphenol (BLP), which contains the structures 2-BLP, 3-BLP, and 4-BLP. 3-BLP is used for chromatographic identification or isomer extraction and separation studies.