2-(4-methoxyphenyl)ethan-1-ol

• ChemBase ID: 87234
• Molecular Formular: C9H12O2
• Molecular Mass: 152.19038
• Monoisotopic Mass: 152.08372962
• SMILES: OCCc1ccc(cc1)OC
• Canonical SMILES: OCCc1ccc(cc1)OC
• InChI: InChI=1S/C9H12O2/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5,10H,6-7H2,1H3
• InChIKey: AUWDOZOUJWEPBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methoxyphenyl)ethan-1-ol
• IUPAC Traditional name: 2-(4-methoxyphenyl)ethanol
• Synonyms: 4-Methoxyphenethyl alcohol; 2-(4-Methoxyphenyl)ethanol; 4-Methoxybenzeneethanol; 1-Methoxy-4-(2-hydroxyethyl)benzene; 2-(4-Methoxyphenyl)-1-ethanol; 2-(p-Anisyl)ethanol; 4-Methoxyphenethyl Alcohol; NSC 408325; p-(Methoxyphenyl)ethyl Alcohol; p-Methoxyphenethyl Alcohol; β-(p-Methoxyphenyl)ethanol; 2-(4-Methoxyphenyl)ethanol; 4-Methoxyphenethyl alcohol; 2-(4-methoxyphenyl)ethanol; 2-(4-甲氧基苯基)乙醇; 2-(4-甲氧基苯基)乙醇; 4-甲氧基苯乙醇

Database IDs

• CAS Number: 702-23-8
• EC Number: 211-866-6
• MDL Number: MFCD00002900
• Beilstein Number: 2043563
• PubChem SID: 24849412; 162074350
• PubChem CID: 69705

CALCULATED PROPERTIES

• Acid pKa: 15.907796
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3368859
• LogD (pH = 7.4): 1.3368859
• Log P: 1.3368859
• Molar Refractivity: 44.0921 cm^3
• Polarizability: 17.06616 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO; Methanol
• Apperance: Pale Yellow Low Melting Solid
• Melting Point: 26-28 °C(lit.); 26-28°C; 26-30°C
• Boiling Point: 334-336 °C(lit.); 334-336°C; 334-336°C
• Flash Point: >110°C(230°F); 113 °C; 113°C; 235.4 °F
• Refractive Index: 1.5370

Safety Information

• Storage Condition: Refrigerator, Under Inert Atmosphere
• Storage Warning: Irritant
• German water hazard class: 3
• TSCA Listed: 是
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 95+%; 98%; 99%
• Linear Formula: CH3OC6H4CH2CH2OH

DETAILS

Sigma Aldrich - 154180

Packaging
10 g in glass bottle

Toronto Research Chemicals - M266135

It has a flavor and aroma of fresh citrus juice and may be used for perfumes, foods, and cosmetics.

REFERENCES

• van Dort, H.M.; et al.: J. Agric. Food Chem., 41, 2063 (1993)