4-(hydroxymethyl)phenol

• ChemBase ID: 69894
• Molecular Formular: C7H8O2
• Molecular Mass: 124.13722
• Monoisotopic Mass: 124.0524295
• SMILES: C(c1ccc(cc1)O)O
• Canonical SMILES: OCc1ccc(cc1)O
• InChI: InChI=1S/C7H8O2/c8-5-6-1-3-7(9)4-2-6/h1-4,8-9H,5H2
• InChIKey: BVJSUAQZOZWCKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(hydroxymethyl)phenol
• IUPAC Traditional name: P-hydroxybenzyl alcohol
• Synonyms: 4-Hydroxybenzyl alcohol; 4-Hydroxybenzyl alcohol; 4-Hydroxybenzyl alcohol; (4-Hydroxyphenyl)methanol; 4-(Hydroxymethyl)phenol 98%; p-HYDROXYBENZYL ALCOHOL; 对羟基苯甲醇; 4-羟基苄醇

Database IDs

• CAS Number: 623-05-2
• EC Number: 210-768-0
• MDL Number: MFCD00004658
• Beilstein Number: 1858967
• PubChem SID: 162035619; 24901962; 24879045; 24895499
• PubChem CID: 125
• FEMA ID: 3987
• Flavis Number: 2.165

CALCULATED PROPERTIES

• Acid pKa: 9.4763
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.90228516
• LogD (pH = 7.4): 0.8987239
• Log P: 0.90233076
• Molar Refractivity: 34.8548 cm^3
• Polarizability: 13.385615 Å^3
• Polar Surface Area: 40.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 110-112°C; 114-122 °C; 114-122 °C(lit.); 114-122°C; 118-125 °C
• Boiling Point: 251-253°C; 251-253°C

Safety Information

• Storage Condition: 2-8°C
• Storage Warning: Air & Light Sensitive; IRRITANT; Irritant/Keep Cold/Air Sensitive/Light Sensitive
• RTECS: DA4796800
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36; 36/37/38
• Safety Statements: 26; 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335; H319
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A; P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: 2-8°C

Pharmacology Properties

• Allergens: no known allergens

Product Information

• Purity: ≥98%; ≥98.5% (HPLC); 95+%; 98%; 99%
• Grade: purum
• Linear Formula: HOC6H4CH2OH

DETAILS

MP Biomedicals - 05206572

MP Biomedicals Rare Chemical collection

Sigma Aldrich - H20806

Packaging
10 g in glass bottle
25, 100 g in poly bottle

Sigma Aldrich - W398705

Packaging
1 kg in poly bottle
1 sample in glass bottle
100 g in poly bottle
5 kg in poly drum