2-Benzyloxyphenol (HCID 80459)

Names & identifiers

Preferred name: 2-Benzyloxyphenol
IUPAC: 2-phenylmethoxyphenol
English name: 2-Benzyloxyphenol
Molecular formula: C13H12O2
Molecular weight: 200.23

Names & synonyms

2-BenzyloxyphenolEINECS 228-461-5DTXSID50211801NSC 37426NSC 72669RefChem:465716DTXCID40134292228-461-52-(Benzyloxy)phenol6272-38-42-phenylmethoxyphenolPhenol, 2-(phenylmethoxy)-

Show more names

2-Benzyloxy2-(Denzyloxy)phenol2-Benzyloxyphenol,98%Phenol, o-(benzyloxy)-2-(Benzyloxy)phenol 96%2-(Benzyloxy)phenol >CATECHOL MONOBENZYL ETHER

MFCD00002186benzyloxyphenol2-(phenylmethoxy)phenolBenzyl o-hydroxyphenyl ether2-Benzyloxy-phenolo-(Benzyloxy)phenolNSC-37426NSC-72669

Database identifiers

CAS: 6272-38-4
PubChem CID: 80459
DTXSID: DTXSID50211801
ChEMBL: CHEMBL4442258
UNII: TG82JJC4JK
EC Number: 228-461-5
Nikkaji: J211.510G

Properties

Computed structural properties

XLogP: 2.7
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: 35 · 35-40°C
Boiling point: 215 °C · 215 °C / 20mmHg
Density: 1.143 g/mL · 1.143 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.591(lit.)
Flash point: 230 °F · >230 °F
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
form: Liquid
pka: 9.65 · 9.65±0.30(Predicted)
color: Colorless to pale yellow
Water Solubility: Soluble in alcohol, benzene, and diethyl ether. Insoluble in water.
InChI: 1S/C13H12O2/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h1-9,14H,10H2
InChIKey: CCZCXFHJMKINPE-UHFFFAOYSA-N
SMILES: Oc1ccccc1OCc2ccccc2
CAS DataBase Reference: 6272 · 6272-38-4(CAS DataBase Reference)
NIST Chemistry Reference: 2 · Phenol, 2-(phenylmethoxy)-(6272-38-4)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26
WGK Germany: 1 · 1
HS Code: 29095000 · 29095000
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.7%)

Safety data

PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 1
hs_code: 29095000
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26
Storage Class: 10 - Combustible liquids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications · 1 item

Uses2-Benzyloxyphenol is used in the synthesis of 2-(benzyloxy)hydroquinone and also used to prepare sequential polypeptides.It is used as reagent for synthesis of multidentate chelating ligands. It is also used in chemicals, pharmaceutical research and also acts a pharmaceutical intermediate.