4-dodecylphenol

• ChemBase ID: 107652
• Molecular Formular: C18H30O
• Molecular Mass: 262.4302
• Monoisotopic Mass: 262.22966558
• SMILES: CCCCCCCCCCCCc1ccc(O)cc1
• Canonical SMILES: CCCCCCCCCCCCc1ccc(cc1)O
• InChI: InChI=1S/C18H30O/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(19)16-14-17/h13-16,19H,2-12H2,1H3
• InChIKey: KJWMCPYEODZESQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-dodecylphenol
• IUPAC Traditional name: dodecylphenol
• Synonyms: 4-Dodecylphenol, mixture of isomers; p-DODECYLPHENOL; 4-dodecylphenol; 4-十二烷基苯酚，同分异构体混合物

Database IDs

• CAS Number: 104-43-8; 27193-86-8
• EC Number: 203-202-9; 248-312-8
• MDL Number: MFCD00039521
• PubChem SID: 24863018; 162093571
• PubChem CID: 66030

CALCULATED PROPERTIES

• Acid pKa: 10.306872
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 7.0733504
• LogD (pH = 7.4): 7.0728226
• Log P: 7.073357
• Molar Refractivity: 83.6911 cm^3
• Polarizability: 33.01488 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 310-335 °C(lit.)
• Flash Point: 113 °C; 235.4 °F
• Density: 0.94 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.503(lit.)
• Hydrophobicity(logP): 7.793

Safety Information

• RTECS: SL3675000
• European Hazard Symbols: Corrosive (C); Nature polluting (N); Irritant (Xi)
• UN Number: 3145
• German water hazard class: 2
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34-52/53; R:36/37/38
• Safety Statements: 26-36/37/39-45-61; S:20-25-26-37/39
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3145 8/PG 2

Pharmacology Properties

• Gene Information: rat ... Ar(24208)

Product Information

• Purity: 95%
• Linear Formula: C12H25C6H4OH

DETAILS

MP Biomedicals - 05204478

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 372102

Packaging
1 L in poly bottle
Application
Modifier for the preparation of cycloaliphatic epoxy hybrids with amine curing agents1Catalyst for studies of thermal and thermomechanical behavior of novel cyanate ester homopolymers and copolymers2