dodecyl prop-2-enoate

• ChemBase ID: 110341
• Molecular Formular: C15H28O2
• Molecular Mass: 240.38162
• Monoisotopic Mass: 240.20893014
• SMILES: CCCCCCCCCCCCOC(=O)C=C
• Canonical SMILES: CCCCCCCCCCCCOC(=O)C=C
• InChI: InChI=1S/C15H28O2/c1-3-5-6-7-8-9-10-11-12-13-14-17-15(16)4-2/h4H,2-3,5-14H2,1H3
• InChIKey: PBOSTUDLECTMNL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dodecyl prop-2-enoate
• IUPAC Traditional name: dodecyl prop-2-enoate
• Synonyms: Dodecyl acrylate; Lauryl acrylate; Lauryl acrylate; Dodecyl acrylate; n-LAURYL ACRYLATE; 丙烯酸十二烷基酯; 丙烯酸月桂酯; 丙烯酸月桂酯; 丙烯酸十二烷基酯

Database IDs

• CAS Number: 2156-97-0
• EC Number: 218-463-4
• MDL Number: MFCD00042871
• Beilstein Number: 1779069
• PubChem SID: 24868332; 162095450
• PubChem CID: 75084

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.792623
• LogD (pH = 7.4): 5.792623
• Log P: 5.792623
• Molar Refractivity: 72.7421 cm^3
• Polarizability: 28.89051 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 13
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: ~120 °C/1 mmHg(lit.)
• Flash Point: 110 °C; 230 °F
• Density: 0.87 g/mL at 20 °C; 0.884 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.445(lit.)

Safety Information

• European Hazard Symbols: Nature polluting (N); Irritant (Xi)
• UN Number: 3082
• German water hazard class: 3
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: 36/37/38-51/53
• Safety Statements: 26-28-61
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3082 9/PG 3

Product Information

• Purity: ~55% (GC); 90%
• Grade: technical; technical grade
• Impurities: tetradecyl acrylate, residual
• Contains: 60-100 ppm monomethyl ether hydroquinone as inhibitor
• Linear Formula: CH2=CHCOOC12H25

DETAILS

MP Biomedicals - 05214605

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 447315

Packaging
100, 500 mL in poly bottle