CAS 3381-87-1 Benzenemethanol, 2-(phenylmethoxy)- (HCID 18811)

Substructure search Find similar structures

Basic information

CAS: 3381-87-1
Standard SMILES: OCc1ccccc1OCc1ccccc1
InChIKey: XRZMRABYCSOXIZ-UHFFFAOYSA-N
Molecular formula: C14H14O2
Average molar mass: 214.26 g/mol
Monoisotopic mass: 214.09937969

Names & identifiers

Preferred name: Benzenemethanol, 2-(phenylmethoxy)-
IUPAC: (2-phenylmethoxyphenyl)methanol
English name: 2-Benzyloxybenzyl alcohol
Molecular formula: C14H14O2
Molecular weight: 214.26

Names & synonyms

2-Benzyloxybenzyl alcohol3381-87-1(2-(Benzyloxy)phenyl)methanol[2-(Benzyloxy)phenyl]methanolBenzyl ether of saligenin2-(Phenylmethoxy)benzenemethanolBenzenemethanol, 2-(phenylmethoxy)-BENZYL ALCOHOL, o-(BENZYLOXY)-BRN 2212681DTXSID50187471RefChem:563480DTXCID60109962

Show more names

o-Benzyloxybenzyl alcohol2-Benzylocybenzyl Alcohol2-(Benzyloxy)benzenemethanol2-Benzyloxybenzyl Alcohol >2-(Benzyloxy)benzyl alcohol 97%[2-(phenylmethoxy)phenyl]methanol2-(benzenemethoxy)benzenemethylol

Benzenemethanol, 2-(phenylmethoxy)-(9CI)630-896-4(2-phenylmethoxyphenyl)methanolMFCD016644282-(benzyloxy)benzyl alcoholSCHEMBL692555Benzenemethanol, 2-(phenylmethoxy)- (9CI)AS-44397

Database identifiers

CAS: 3381-87-1
PubChem CID: 18811
DTXSID: DTXSID50187471
UNII: 97BD6L3N4P
EC Number: 630-896-4
Nikkaji: J122.291K

Properties

Computed structural properties

XLogP: 1.7
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: 36.5 · 36.5-37.5 °C
Boiling point: 155 °C · 155 °C / 4mmHg
Density: 1.139 · 1.139±0.06 g/cm3(Predicted)
Flash point: 37 °C · 37 °C
storage temp.: Store at room temperature
pka: 14.4 · 14.40±0.10(Predicted)
form: powder to lump to clear liquid
color: White or Colorless to Yellow
InChI: InChI=1S/C14H14O2/c15-10-13-8-4-5-9-14(13)16-11-12-6-2-1-3-7-12/h1-9,15H,10-11H2
InChIKey: XRZMRABYCSOXIZ-UHFFFAOYSA-N
SMILES: C1(CO)=CC=CC=C1OCC1=CC=CC=C1
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 318 · H318
Precautionary statements: 280 · P280-P305+P351+P338
RTECS: 8582000 · DN8582000

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

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

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 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

rtecs: DN8582000
hs_code: 2916399090
Toxicity: frog,LDLo,unreported,360mg/kg (360mg/kg),BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)BEHAVIORAL: ATAXIABEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY),Journal of Pharmacology and Experimental Therapeutics. Vol. 24, Pg. 423, 1925.
Signal word: Danger
Symbol(GHS): GHS05
Hazard statements: H318
Precautionary statements: P280-P305+P351+P338