CAS 836-43-1 (4-(Benzyloxy)phenyl)methanol (HCID 70043)

Overview

4-Benzyloxybenzyl alcohol is a benzyl ether.

Names & identifiers

Preferred name: (4-(Benzyloxy)phenyl)methanol
IUPAC: (4-phenylmethoxyphenyl)methanol
English name: 4-Benzyloxybenzyl alcohol
Molecular formula: C14H14O2
Molecular weight: 214.26

Names & synonyms

836-43-1(4-(benzyloxy)phenyl)methanolp-Benzyloxybenzyl alcohol[4-(Benzyloxy)phenyl]methanol4-(Benzyloxy)benzyl alcoholBenzenemethanol, 4-(phenylmethoxy)-MFCD00004654(4-phenylmethoxyphenyl)methanol2YM4AM9F9JST50308574CHEBI:294864-Benzyloxybenzyl alcohol, 97%

Show more names

ZERENEX E/4047913RARECHEM AL BD 00874-Benzyloxybenzyl alcoholp-benzyloxybenzyl chloride4-(Benzyloxy)benzenemethanolP-BENZYLOXYBENZYL ALCOHOL 99%4-BENZYLOXYBENZYL ALCOHOL 98%4-Benzyloxybenzyl alcohol,97%

[4-(Benzyloxy)phenyl]methanol #NSC-131675Z262320924-BenzyloxybenzylalcoholStratoSpheres(TM) PL-Wang resin, 100-200 mesh, extent of labeling: 1.7 mmol/g loading, 1 % cross-linked4-(PHENYLMETHOXY)BENZENEMETHANOL(4-Benzyloxyphenyl)methanol; 4-(Benzyloxy)benzyl Alcohol; 4-(Phenylmethoxy)benzenemethanol; NSC 131675AMY30258

Database identifiers

CAS: 836-43-1
PubChem CID: 70043
DTXSID: DTXSID50232450
ChEMBL: CHEMBL3278094
ChEBI: CHEBI:29486
UNII: 2YM4AM9F9J
EC Number: 212-649-9
Nikkaji: J195.110F

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 16
Formal charge: 0
Complexity: 179

Physicochemical properties

Melting point: 86 · 86-87 °C(lit.)
Boiling point: 314.4 °C · 314.4°C (rough estimate)
Density: 1.0781 · 1.0781 (rough estimate)
refractive index: 1.53 · 1.5300 (estimate)
storage temp.: Sealed in dry,Room Temperature
solubility: Methanol
form: Powder
pka: 14.52 · 14.52±0.10(Predicted)
color: Off-white
BRN: 1877819 · 1877819
InChI: InChI=1S/C14H14O2/c15-10-12-6-8-14(9-7-12)16-11-13-4-2-1-3-5-13/h1-9,15H,10-11H2
InChIKey: OEBIVOHKFYSBPE-UHFFFAOYSA-N
SMILES: C1(CO)=CC=C(OCC2=CC=CC=C2)C=C1
CAS DataBase Reference: 836 · 836-43-1(CAS DataBase Reference)
FDA UNII: 2 YM4AM9F9J · 2YM4AM9F9J
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P302+P352-P305+P351+P338
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/38-36/37/38-20/21/22
Safety Statements: 22 · 22-24/25-36-26
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 29062990 · 29062990
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
hs_code: 29062990
risk_code: 36/38-36/37/38-20/21/22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,Xn
safety_code: 22-24/25-36-26
hazard_class: IRRITANT
Storage Class: 11 - Combustible Solids
Hazard statements: H315-H319
Precautionary statements: P264-P302+P352-P305+P351+P338

Chemistry & industry

Applications

UsesEthyl 4-benzyloxybenzoate analogue with hypolipidemic activity.

Uses4-Benzyloxybenzyl alcohol was used in the synthesis of:13C-labelled derivatives of the isoflavonoid phytoestrogens, genistein, biochanin A, daidzein and formononetinbenzyl4-(tert-butyldiphenylsiloxy-M1-carbamoyloxymethyl)phenylether