1,2-bis(2-methoxyethyl) benzene-1,2-dicarboxylate

• ChemBase ID: 111926
• Molecular Formular: C14H18O6
• Molecular Mass: 282.28912
• Monoisotopic Mass: 282.1103383
• SMILES: COCCOC(=O)c1ccccc1C(=O)OCCOC
• Canonical SMILES: COCCOC(=O)c1ccccc1C(=O)OCCOC
• InChI: InChI=1S/C14H18O6/c1-17-7-9-19-13(15)11-5-3-4-6-12(11)14(16)20-10-8-18-2/h3-6H,7-10H2,1-2H3
• InChIKey: HSUIVCLOAAJSRE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-bis(2-methoxyethyl) benzene-1,2-dicarboxylate
• IUPAC Traditional name: bis(methoxyethyl)phthalate
• Synonyms: DIMETHYL GLYCOL PHTHALATE; Bis(2-methoxyethyl) phthalate; Dimethylglycol phthalate; Bis(methylglycol) phthalate; Bis(2-methoxyethyl) phthalate; Bis(2-methoxyethyl) phthalate; 邻苯二甲酸二(2-甲氧乙基)酯; 邻苯二甲酸二甲氧基乙酯; 邻苯二甲酸二甲氧乙酯; 邻苯二甲酸二(2-甲氧基乙基)酯

Database IDs

• CAS Number: 117-82-8
• EC Number: 204-212-6
• MDL Number: MFCD00042842
• Beilstein Number: 2056929
• PubChem SID: 162098108; 24887516; 24862960
• PubChem CID: 8344

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.8862487
• LogD (pH = 7.4): 1.8862487
• Log P: 1.8862487
• Molar Refractivity: 72.1956 cm^3
• Polarizability: 27.994137 Å^3
• Polar Surface Area: 71.06 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid
• Boiling Point: 230 °C/10 mmHg(lit.); 340°C
• Flash Point: 121 °C; 185°C(365°F); 249.8 °F
• Density: 1.17; 1.173 g/mL at 20 °C(lit.)
• Refractive Index: 1.503; n20/D 1.503

Safety Information

• RTECS: TI1400000
• European Hazard Symbols: Toxic (T)
• German water hazard class: 3
• Risk Statements: 61-62
• Safety Statements: 53-45
• TSCA Listed: 是
• GHS Pictograms: GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H360
• GHS Precautionary statements: P201-P308 + P313; P281-P201-P202-P308+P313-P405-P501A
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥90% (GC); 95+%; 96%
• Grade: analytical standard, for environmental analysis; technical
• Empirical Formula (Hill Notation): C14H18O6

DETAILS

MP Biomedicals - 05221723

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 80050

Packaging
250 mL in glass bottle