CAS 33693-48-0 4-Benzyloxy-3-methoxybenzyl alcohol (HCID 98832)

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Basic information

CAS: 33693-48-0
Standard SMILES: COc1cc(CO)ccc1OCc1ccccc1
InChIKey: PDBXFVPMVYQICB-UHFFFAOYSA-N
Molecular formula: C15H16O3
Average molar mass: 244.28 g/mol
Monoisotopic mass: 244.10994437

Names & identifiers

Preferred name: 4-Benzyloxy-3-methoxybenzyl alcohol
IUPAC: (3-methoxy-4-phenylmethoxyphenyl)methanol
English name: 4-Benzyloxy-3-methoxybenzyl alcohol
Molecular formula: C15H16O3
Molecular weight: 244.29

Names & synonyms

33693-48-04-Benzyloxy-3-methoxybenzyl alcohol(3-methoxy-4-phenylmethoxyphenyl)methanolBenzenemethanol, 3-methoxy-4-(phenylmethoxy)-O-Benzylvanillyl AlcoholW7Z6QS9TZRVanillyl Alcohol Benzyl Ether4-(Benzyloxy)-3-methoxybenzyl AlcoholEINECS 251-638-3(4-Benzyloxy-3-methoxyphenyl)methanolNSC 169518NSC-169518

Show more names

Moscatilin/Int02-3-methoxyphenyl)RARECHEM AL BD 00644-Benzyloxy-3-methoxybenzyl alcohol,97%4-BENZYLOXY-3-METHOXYBENZYL ALCOHOL 97%

3-Methoxy-4-(benzyloxy)benzyl AlcoholDTXSID101873763-METHOXY-4-(PHENYLMETHOXY)BENZENEMETHANOLBENZYL ALCOHOL, 4-(BENZYLOXY)-3-METHOXY-RefChem:518524DTXCID20109867251-638-3(4-(benzyloxy)-3-methoxyphenyl)methanol

Database identifiers

CAS: 33693-48-0
PubChem CID: 98832
DTXSID: DTXSID10187376
UNII: W7Z6QS9TZR
EC Number: 251-638-3
Nikkaji: J150.027I

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 38.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 18
Formal charge: 0
Complexity: 226

Physicochemical properties

Melting point: 71 · 71-73 °C(lit.)
Boiling point: 347.2 °C · 347.2°C (rough estimate)
Density: 1.1263 · 1.1263 (rough estimate)
refractive index: 1.557 · 1.5570 (estimate)
solubility: Dichloromethane, Methanol
form: Solid
pka: 14.17 · 14.17±0.10(Predicted)
color: White
FDA UNII: 7 Z6QS9TZR · W7Z6QS9TZR
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
Safety Statements: 24 · 24/25
WGK Germany: 3 · 3
HS Code: 29094980 · 29094980

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 (100%): 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 4 reports by companies from 1 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.