CAS 71648-21-0 3-Ethoxybenzenemethanol (HCID 4186183)

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Basic information

CAS: 71648-21-0
Standard SMILES: CCOc1cccc(CO)c1
InChIKey: PDYCXUZHSKLETQ-UHFFFAOYSA-N
Molecular formula: C9H12O2
Average molar mass: 152.19 g/mol
Monoisotopic mass: 152.08372962

Names & identifiers

Preferred name: 3-Ethoxybenzenemethanol
IUPAC: (3-ethoxyphenyl)methanol
English name: 3-Ethoxybenzyl alcohol
Molecular formula: C9H12O2
Molecular weight: 152.19

Names & synonyms

71648-21-03-EthoxybenzenemethanolRefChem:279045(3-ethoxyphenyl)methanol3-Ethoxybenzyl alcoholMFCD000168643-ethoxybenzylalcohol(3-ETHOXY-PHENYL)-METHANOLm-ethoxybenzyl alcohol(3-ethoxyphenyl)methan-1-olSCHEMBL126286SCHEMBL126287

Show more names

3-ethoxybenzenemethylolBenzenemethanol, 3-ethoxy-

3-Ethoxybenzyl alcohol, 97%SCHEMBL4353971RARECHEM AL BD 0250SCHEMBL16959163DTXSID701313879AKOS000247825FE66704(3-Ethoxyphenyl)methanol - [E89465]

Database identifiers

CAS: 71648-21-0
PubChem CID: 4186183
DTXSID: DTXSID701313879
Nikkaji: J298.983B

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 11
Formal charge: 0
Complexity: 104

Physicochemical properties

Boiling point: 266 °C · 266 °C(lit.)
Density: 1.08 g/mL · 1.08 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.534(lit.)
Flash point: 140 °F · 140 °F
storage temp.: Store at room temperature
Appearance: Colorless to light yellow Liquid
InChI: 1S/C9H12O2/c1-2-11-9-5-3-4-8(6-9)7-10/h3-6,10H,2,7H2,1H3
InChIKey: PDYCXUZHSKLETQ-UHFFFAOYSA-N
SMILES: CCOc1cccc(CO)c1
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02
Signal word: Warning
Hazard statements: 225 · H225
Precautionary statements: 210 · P210-P403+P235
RIDADR: 1993 · UN 1993 3/PG 2

Safety & regulation

Safety data

wgk: 3
ridadr: UN 1993 3/PG 2
Signal word: Warning
Symbol(GHS): GHS02
Storage Class: 3 - Flammable liquids
Hazard statements: H225
Hazard Classifications: Flam. Liq. 3
Precautionary statements: P210-P403+P235

Chemistry & industry

Applications

Uses3-Ethoxybenzyl alcohol can be obtained from m-anisaldehyde. It undergoes reduction in the presence of LiAlH4 and ether to afford 3-ethoxybenzyl alcohol.

General Description3-Ethoxybenzyl alcohol can be obtained from m-anisaldehyde. It undergoes reduction in the presence of LiAlH4 and ether to afford 3-ethoxybenzyl alcohol.