p-(Benzyloxy)phenethyl alcohol

HCID 3017260CAS 61439-59-6

Substructure search Find similar structures

Basic information

Standard SMILES: OCCc1ccc(OCc2ccccc2)cc1
InChIKey: JCUJAHLWCDISCC-UHFFFAOYSA-N
Molecular formula: C15H16O2
Average molar mass: 228.29 g/mol
Monoisotopic mass: 228.11502975

Names & identifiers

Preferred name: p-(Benzyloxy)phenethyl alcohol
IUPAC: 2-(4-phenylmethoxyphenyl)ethanol
English name: 2-(4-BENZYLOXYPHENYL)ETHANOL
Molecular formula: C15H16O2
Molecular weight: 228.29

Names & synonyms

61439-59-6p-(Benzyloxy)phenethyl alcoholEINECS 262-795-2DTXSID80210382RefChem:857937DTXCID80132873262-795-22-(4-Benzyloxyphenyl)ethanol2-(4-(Benzyloxy)phenyl)ethanol2-(4-phenylmethoxyphenyl)ethanol4-Benzyloxyphenethyl Alcohol4-Benzyloxyphenylethyl alcohol

Show more names

4-Benzyloxyphenylethanol pP-Benzyloxyphenylethan-2-ol4-BENZYLOXYPHENYLETHAN-2-OL4-(Benzyloxy)-benzeneethanol4-(Benzyloxy) phenethylalcoho

4-(Benzyloxy)phenethyl alcoholBenzeneethanol, 4-(phenylmethoxy)-MFCD000175322-[4-(Benzyloxy)phenyl]ethanol2-[4-(benzyloxy)phenyl]ethan-1-ol2-(4-(benzyloxy)phenyl)ethan-1-ol2-[4-(phenylmethoxy)phenyl]ethan-1-ol2-(p-Benzyloxyphenyl)ethanol

Database identifiers

CAS: 61439-59-6
PubChem CID: 3017260
DTXSID: DTXSID80210382
EC Number: 262-795-2
Nikkaji: J279.639B

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 17
Formal charge: 0
Complexity: 191

Experimental & physicochemical properties

LogP1.96

Physicochemical properties

Melting point: 85 · 85-87°C
Boiling point: 379.1 · 379.1±22.0 °C(Predicted)
Density: 1.116 · 1.116±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
solubility: Chloroform (Slightly), Methanol (Slightly)
pka: 14.93 · 14.93±0.10(Predicted)
form: Solid
color: White to Off-White
BRN: 2054624 · 2054624
InChI: InChI=1S/C15H16O2/c16-11-10-13-6-8-15(9-7-13)17-12-14-4-2-1-3-5-14/h1-9,16H,10-12H2
InChIKey: JCUJAHLWCDISCC-UHFFFAOYSA-N
SMILES: C1(CCO)=CC=C(OCC2=CC=CC=C2)C=C1
CAS DataBase Reference: 61439 · 61439-59-6
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Safety Statements: 24 · 24/25
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 66.7% (6 of 9) of all reports.

Warning

H315 (22.2%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 9 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 14-02-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/17959

Hazard Classes and CategoriesSkin Irrit. 2 (22.2%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
safety_code: 24/25
Hazard statements: H315-H319
REACH Registrations: Active
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313