2-butoxyethyl 2-(2,4-dichlorophenoxy)acetate

• ChemBase ID: 157225
• Molecular Formular: C14H18Cl2O4
• Molecular Mass: 321.19632
• Monoisotopic Mass: 320.05821442
• SMILES: CCCCOCCOC(=O)COc1ccc(cc1Cl)Cl
• Canonical SMILES: CCCCOCCOC(=O)COc1ccc(cc1Cl)Cl
• InChI: InChI=1S/C14H18Cl2O4/c1-2-3-6-18-7-8-19-14(17)10-20-13-5-4-11(15)9-12(13)16/h4-5,9H,2-3,6-8,10H2,1H3
• InChIKey: ZMWGIGHRZQTQRE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-butoxyethyl 2-(2,4-dichlorophenoxy)acetate
• IUPAC Traditional name: 2,4-D, butoxyethyl ester
• Synonyms: 2,4-Dichlorophenoxyacetic acid butylglycol ester; 2,4-D butylglycol ester; 2-Butoxyethyl 2,4-dichlorophenoxyacetate; 2,4-D butylglycol ester; 2,4-二丁基乙二醇酯; 2,4-二氯苯氧乙酸丁氧基乙基酯; 2,4-滴酸丁氧基乙酯; 2,4-二丁基乙二醇酯

Database IDs

• CAS Number: 1929-73-3
• EC Number: 217-680-1
• MDL Number: MFCD00126849
• Beilstein Number: 1996617
• PubChem SID: 162251362; 24861122
• PubChem CID: 16002

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.9244647
• LogD (pH = 7.4): 3.9244647
• Log P: 3.9244647
• Molar Refractivity: 77.9016 cm^3
• Polarizability: 31.039305 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• RTECS: AG7700000
• European Hazard Symbols: Nature polluting (N); Harmful (Xn)
• UN Number: 3082
• German water hazard class: 3
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: 22-43-50/53
• Safety Statements: 26-29-36/37-46-60-61
• GHS Pictograms: GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H317-H410
• GHS Precautionary statements: P273-P280-P501
• Personal Protective Equipment: Eyeshields, Faceshields, 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

• Grade: PESTANAL®, analytical standard
• Empirical Formula (Hill Notation): C14H18Cl2O4

DETAILS

Sigma Aldrich - 31057

Legal Information
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