3-(Phenylmethoxy)benzenemethanol

HCID 74341CAS 1700-30-7

Substructure search Find similar structures

Basic information

Standard SMILES: OCc1cccc(OCc2ccccc2)c1
InChIKey: AFKLSWIRJUJWKY-UHFFFAOYSA-N
Molecular formula: C14H14O2
Average molar mass: 214.26 g/mol
Monoisotopic mass: 214.09937969

Names & identifiers

Preferred name: 3-(Phenylmethoxy)benzenemethanol
IUPAC: (3-phenylmethoxyphenyl)methanol
English name: 3-BENZYLOXYBENZYL ALCOHOL
Molecular formula: C14H14O2
Molecular weight: 214.26

Names & synonyms

1700-30-7Benzenemethanol, 3-(phenylmethoxy)-3-(Phenylmethoxy)benzenemethanolDTXSID70168782RefChem:1067210DTXCID0091273216-931-2(4-benzyloxyphenyl)methanol4-Benzyloxybenzyl alcohol3-Benzyloxybenzyl alcohol(3-(Benzyloxy)phenyl)methanol[3-(Benzyloxy)phenyl]methanol

Show more names

RARECHEM AL BD 0066Ammonium Sulphate LRM-phenoxy phenylcarbinol3-Benzyloxybenzyl alcohol,97%3-Benzyloxybenzyl Alcohol >(3-phenylmethoxyphenyl)methanol3-BENZYLOXYPHENYLMETHYLCARBINOL

(3-phenylmethoxyphenyl)methanol3-Benzyloxybenzylic Alcohol3-(Benzyloxy)benzyl alcohol3-BenzyloxybenzylalcoholMFCD00004642(3-Benzyloxyphenyl)methanolEINECS 216-931-2RMX6S6JFX9

Database identifiers

CAS: 1700-30-7
PubChem CID: 74341
DTXSID: DTXSID70168782
UNII: RMX6S6JFX9
EC Number: 216-931-2
Nikkaji: J150.025B

Properties

Computed structural properties

XLogP: 2.9
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: 187

Physicochemical properties

Melting point: 48 °C · 48 °C(lit.)
Boiling point: 160 °C/3mmHg · 160°C/3mmHg(lit.)
Density: 1.0781 · 1.0781 (rough estimate)
refractive index: 1.53 · 1.5300 (estimate)
Flash point: 230 °F · >230 °F
storage temp.: Store at room temperature
solubility: Chloroform, Dichloromethane, Ethyl Acetate, Methanol
form: Powder
pka: 14.3 · 14.30±0.10(Predicted)
color: Light yellow to light beige
InChI: InChI=1S/C14H14O2/c15-10-13-7-4-8-14(9-13)16-11-12-5-2-1-3-6-12/h1-9,15H,10-11H2
InChIKey: AFKLSWIRJUJWKY-UHFFFAOYSA-N
SMILES: C1(CO)=CC=CC(OCC2=CC=CC=C2)=C1
CAS DataBase Reference: 1700 · 1700-30-7(CAS DataBase Reference)
FDA UNII: 6 S6JFX9 · RMX6S6JFX9
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xi
Risk Statements: 36 · 36/38-36/37/38
Safety Statements: 37 · 37/39-26-36-24/25
WGK Germany: 3 · 3
HS Code: 29062990 · 29062990

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 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationBenzenemethanol, 3-(phenylmethoxy)-: Does not have an individual approval but may be used under an appropriate group standard

Safety data

wgk: 3
hs_code: 29062990
risk_code: 36/38-36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 37/39-26-36-24/25
Hazard statements: H315-H319-H335
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Applications

Uses3-Benzyloxybenzyl alcohol serves as a precursor for the synthesis of 3-benzyloxybenzyl bromide using tetrabromomethane and triphenylphosphine[1].