dodecyl 4-hydroxybenzoate

• ChemBase ID: 109058
• Molecular Formular: C19H30O3
• Molecular Mass: 306.4397
• Monoisotopic Mass: 306.21949482
• SMILES: CCCCCCCCCCCCOC(=O)c1ccc(O)cc1
• Canonical SMILES: CCCCCCCCCCCCOC(=O)c1ccc(cc1)O
• InChI: InChI=1S/C19H30O3/c1-2-3-4-5-6-7-8-9-10-11-16-22-19(21)17-12-14-18(20)15-13-17/h12-15,20H,2-11,16H2,1H3
• InChIKey: BAYSQTBAJQRACX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dodecyl 4-hydroxybenzoate
• IUPAC Traditional name: dodecyl 4-hydroxybenzoate
• Synonyms: DODECYL p-HYDROXYBENZOATE; 4-Hydroxybenzoic acid n-dodecyl ester; Lauryl 4-hydroxybenzoate; n-Dodecyl 4-hydroxybenzoate; 正十二烷基对羟基苯甲酸酯

Database IDs

• CAS Number: 2664-60-0
• EC Number: 220-195-8
• MDL Number: MFCD00016473
• Beilstein Number: 2739355
• PubChem SID: 162106275
• PubChem CID: 17569

CALCULATED PROPERTIES

• Molar Refractivity: 90.7458 cm^3
• Polarizability: 35.61176 Å^3
• Polar Surface Area: 46.53 Å^2
• Rotatable Bonds: 13
• Lipinski's Rule of Five: false
• Acid pKa: 8.500022
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 6.5531745
• LogD (pH = 7.4): 6.520647
• Log P: 6.5536056

PROPERTIES

Physical Property

• Melting Point: 54-56°C

Safety Information

• RTECS: DH2185600
• TSCA Listed: 否

Product Information

• Purity: 98%

DETAILS

MP Biomedicals - 05209655

MP Biomedicals Rare Chemical collection