2-Methoxyphenethyl alcohol

HCID 81909

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Basic information

CAS: 7417-18-7
Standard SMILES: COc1ccccc1CCO
InChIKey: XLDRDNQLEMMNNH-UHFFFAOYSA-N
Molecular formula: C9H12O2
Average molar mass: 152.19 g/mol
Monoisotopic mass: 152.08372962

Names & identifiers

Preferred name: 2-Methoxyphenethyl alcohol
IUPAC: 2-(2-methoxyphenyl)ethanol
English name: 1-(2-Methoxyphenyl)ethanol
Molecular formula: C9H12O2
Molecular weight: 152.19

Names & synonyms

2-(2-Methoxyphenyl)ethanol2-Methoxyphenethyl alcoholEINECS 231-029-9DTXSID60225136NSC 101847RefChem:474663DTXCID60147627231-029-9InChI=1/C9H12O2/c1-11-9-5-3-2-4-8(9)6-7-10/h2-5,10H,6-7H2,1H7417-18-7Benzeneethanol, 2-methoxy-MFCD00002889

Show more names

2-(2-Methoxyphenyl)2-methoxy-benzeneethano2-(ortho-anisyl) ethanol2-(2-Hydroxyethyl)anisole1-(2-Methoxyphenyl)ethanol

2-(2-Methoxyphenyl)Ethan-1-Ol2-(2-methoxy-phenyl)-ethanol2-MethoxybenzeneethanolSCHEMBL852646Phenethyl alcohol, o-methoxy-2-(2-Methoxyphenyl)ethanol #2-Methoxyphenethyl alcohol, 99%DS-5389

Database identifiers

CAS: 7417-18-7
PubChem CID: 81909
DTXSID: DTXSID60225136
EC Number: 231-029-9
Nikkaji: J149.915G

Properties

Computed structural properties

XLogP: 2
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

Experimental & physicochemical properties

SpringerMaterials PropertiesOptical coefficient

Physicochemical properties

Melting point: 37 °C · 37 °C
Boiling point: 133 · 133-135 °C/10 mmHg (lit.)
Density: 1.076 g/mL · 1.076 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.54(lit.)
Flash point: 230 °F · >230 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
form: clear liquid
pka: 14.89 · 14.89±0.10(Predicted)
color: Colorless to Light yellow
InChI: InChI=1S/C9H12O2/c1-11-9-5-3-2-4-8(9)6-7-10/h2-5,10H,6-7H2,1H3
InChIKey: XLDRDNQLEMMNNH-UHFFFAOYSA-N
SMILES: C1(CCO)=CC=CC=C1OC
LogP: 1.557 · 1.557 (est)
CAS DataBase Reference: 7417 · 7417-18-7(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H335-H315
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
PPE: Eyeshields, Gloves
Safety Statements: 24 · 24/25
WGK Germany: 3 · 3
HS Code: 29094990 · 29094990
Storage Class: 10 · 10 - Combustible liquids

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H315 (50%): Causes skin irritation [Warning Skin corrosion/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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (50%)

Safety data

PPE: Eyeshields, Gloves
wgk: 3
hs_code: 29094990
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 24/25
Storage Class: 10 - Combustible liquids
Hazard statements: H319-H335-H315
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362