2-phenoxyethan-1-ol

• ChemBase ID: 89034
• Molecular Formular: C8H10O2
• Molecular Mass: 138.1638
• Monoisotopic Mass: 138.06807956
• SMILES: O(c1ccccc1)CCO
• Canonical SMILES: OCCOc1ccccc1
• InChI: InChI=1S/C8H10O2/c9-6-7-10-8-4-2-1-3-5-8/h1-5,9H,6-7H2
• InChIKey: QCDWFXQBSFUVSP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenoxyethan-1-ol
• IUPAC Traditional name: phenoxyethanol
• Synonyms: 2-Phenoxyethanol; PHE-G; PHE-S; PHE; PhG; 2-Phenoxyethanol; Phenoxyethanol; Phenoxytolarosol; Dowanol EP / EPH; Emery 6705; Rose ether; β-hydroxyethyl phenyl ether; Phenoxyethanol; β-PHENOXYETHANOL; Rose ether phenoxyethanol; Ethylene glycol monophenyl ether; Phenyl cellosolve; 1-Hydroxy-2-phenoxyethane; Phenooxy alcohol; Ethylene glycol phenyl ether; Phenoxytol; Phenyl monoglycol ether; Phenylglycol; 2-Phenoxyethanol; Ethylene glycol monophenyl ether; DOWANOL® EPh; Phenoxyethanolum; 乙二醇一苯醚; 苯基乙二醇; 2-苯氧基乙醇; 1-羟基-2-苯氧乙烷; 2-苯氧基乙醇; 乙二醇苯醚; 苯氧乙醇

Database IDs

• CAS Number: 122-99-6
• EC Number: 204-589-7
• MDL Number: MFCD00002857
• Beilstein Number: 1364011
• Merck Index: 147257
• PubChem SID: 162075920; 24871939; 24887218; 24898156; 24846661; 24880374
• PubChem CID: 31236
• CHEMBL: 1229846
• Chemspider ID: 13848467
• Unique Ingredient Identifier: HIE492ZZ3T
• Wikipedia Title: Phenoxyethanol

CALCULATED PROPERTIES

• Acid pKa: 15.102173
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.1254725
• LogD (pH = 7.4): 1.1254725
• Log P: 1.1254725
• Molar Refractivity: 38.8135 cm^3
• Polarizability: 15.304339 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: colourless oily liquid
• Melting Point: 11 - 13 °C; 11-13 °C; 11-13 °C(lit.); 11-13°C; 11-14°C; Nov-14°C
• Boiling Point: 128-130°C/20mm; 244-246 °C; 245°C; 245°C; 247 °C; 247 °C(lit.)
• Flash Point: 113 °C (closed cup); 121 °C; 121°C; 121°C(249°F); 249.8 °F; 250 °F
• Density: 1.102; 1.102 g/cm^3; 1.102 g/mL at 25 °C(lit.); 1.107 g/mL at 20 °C(lit.); 1.109 g/ml
• Refractive Index: 1.5370; n20/D 1.537(lit.); n20/D 1.539
• Vapor Pressure: 0.01 mmHg ( 20 °C); 0.03 mm Hg at 25 °C.
• Vapor Density: 4.8 (vs air)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• Storage Warning: Irritant
• RTECS: KM0350000
• European Hazard Symbols: X; Harmful (Xn)
• UN Number: 3271
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: III
• Australian Hazchem: 3Y
• Risk Statements: 22-36; R:22-36
• Safety Statements: 26; S:26
• EU Classification: F1
• EU Hazard Identification Number: 3B
• Emergency Response Guidebook(ERG) Number: 127
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H319
• GHS Precautionary statements: P280-P264-P305+P351+P338-P301+P312-P337+P313-P501A; P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• Storage Temperature: room temp

Product Information

• Purity: ≥90%; ≥95.0%; ≥99%; ≥99% (GC); ≥99.5% (GC); 94%; 95+%; 98%; 99%
• Grade: analytical standard; certified reference material; Ph Eur; SAJ first grade
• Packaging: pkg of 1.5 g
• Impurities: <10% diethylene glycol phenyl ether; ≤0.5% Phenol
• Shelf Life: (limited shelf life, expiry date on the label)
• Pharmacopeia: testing & handling conforms to Pharmacopeia
• Pharmacopeia Traceability: traceable to PhEur P0950000; traceable to USP 1526200
• Linear Formula: C6H5OCH2CH2OH

DETAILS

MP Biomedicals - 05218439

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02150148

1 ml = approx. 1.11 g

Sigma Aldrich - 484318

Packaging
1 L in poly bottle
18 L in steel drum
Legal Information
Product of Dow Chemical™Trademark of The Dow Chemical Company
DOWANOL is a registered trademark of The Dow Chemical Company or an affiliated company of Dow

Sigma Aldrich - PHR1121

General description
This certified reference material (CRM) is produced and certified in accordance with ISO/IEC 17025 and ISO Guide 34.
Other Notes
Values of analytes vary lot to lot.

Sigma Aldrich - P1126

包装
1 L in glass bottle
500 mL in glass bottle