dodecanoyl dodecanoate

• ChemBase ID: 110547
• Molecular Formular: C24H46O3
• Molecular Mass: 382.62024
• Monoisotopic Mass: 382.34469533
• SMILES: CCCCCCCCCCCC(=O)OC(=O)CCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCC(=O)OC(=O)CCCCCCCCCCC
• InChI: InChI=1S/C24H46O3/c1-3-5-7-9-11-13-15-17-19-21-23(25)27-24(26)22-20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3
• InChIKey: NWADXBLMWHFGGU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dodecanoyl dodecanoate
• IUPAC Traditional name: dodecanoic acid, anhydride
• Synonyms: LAURIC ANHYDRIDE; Lauric anhydride; Dodecanoic anhydride; 月桂酸酐; 十二烷酸酸酐

Database IDs

• CAS Number: 645-66-9
• EC Number: 211-449-9
• MDL Number: MFCD00008965
• PubChem SID: 162096950; 24857242
• PubChem CID: 69527

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 9.090788
• LogD (pH = 7.4): 9.090788
• Log P: 9.090788
• Molar Refractivity: 114.1538 cm^3
• Polarizability: 45.780563 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 22
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 41-43 °C(lit.)
• Flash Point: 113 °C; 235.4 °F

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38; R:36/37/38
• Safety Statements: 26-36; S:20-25-26-37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Pharmacology Properties

• Gene Information: human ... FNTA(2339), PGGT1B(5229)

Product Information

• Purity: 98%
• Linear Formula: [CH3(CH2)10CO]2O

DETAILS

MP Biomedicals - 05215501

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 286486

Packaging
5 g in glass bottle