4-Methoxybenzhydryl alcohol

HCID 95375CAS 720-44-5

Substructure search Find similar structures

Basic information

Standard SMILES: COc1ccc(C(O)c2ccccc2)cc1
InChIKey: BEGZWXVLBIZFKQ-UHFFFAOYSA-N
Molecular formula: C14H14O2
Average molar mass: 214.26 g/mol
Monoisotopic mass: 214.09937969

Names & identifiers

Preferred name: 4-Methoxybenzhydryl alcohol
IUPAC: (4-methoxyphenyl)-phenylmethanol
English name: 4-Methoxybenzhydrol
Molecular formula: C14H14O2
Molecular weight: 214.26

Names & synonyms

4-Methoxybenzhydryl alcoholEINECS 211-953-9NSC 5186Benzenemethanol, 4-methoxy-alpha-phenyl-RefChem:524724211-953-94-Methoxybenzhydrol720-44-5(4-Methoxyphenyl)(phenyl)methanol(4-methoxyphenyl)-phenylmethanolMFCD00014398(4-methoxyphenyl)-phenyl-methanol

Show more names

AURORA KA-70544-MethoxybenzohydrolLABOTEST-BB LT004540024-Methoxybenzhydrol>4-methoxydiphenylmethanol4-METHOXYBENZHYDROL, 98+%4-METHOXYPHENYL PHENYL CARBINOL

Benzenemethanol, 4-methoxy-.alpha.-phenyl-(4-methoxyphenyl)phenylmethan-1-ol(4-Methoxyphenyl)phenylmethanolNSC5186p-methoxybenzhydryl alcoholDL-4-METHOXYBENZHYDROLSCHEMBL477621SCHEMBL7593429

Database identifiers

CAS: 720-44-5
PubChem CID: 95375
DTXSID: DTXSID30903232
EC Number: 211-953-9
Nikkaji: J193.092C

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 16
Formal charge: 0
Complexity: 191

Physicochemical properties

Melting point: 67 · 67-69°C
Boiling point: 363.2 · 363.2±30.0 °C(Predicted)
Density: 1.121 · 1.121±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
form: powder to crystal
pka: 13.61 · 13.61±0.20(Predicted)
color: White to Almost white
BRN: 3202445 · 3202445
CAS DataBase Reference: 720 · 720-44-5(CAS DataBase Reference)
Symbol(GHS): 9 · GHS09
Signal word: Warning
Hazard statements: 400 · H400
Precautionary statements: 273 · P273-P391-P501
Safety Statements: 22 · 22-24/25
HS Code: 2909.49 · 2909.49.1500

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.；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.