propan-2-yl 11-methoxy-3,7,11-trimethyldodeca-2,4-dienoate

• ChemBase ID: 75305
• Molecular Formular: C19H34O3
• Molecular Mass: 310.47146
• Monoisotopic Mass: 310.25079495
• SMILES: O(C(=O)/C=C(/C=C/CC(C)CCCC(C)(C)OC)\C)C(C)C
• Canonical SMILES: COC(CCCC(C/C=C/C(=C/C(=O)OC(C)C)/C)C)(C)C
• InChI: InChI=1S/C19H34O3/c1-15(2)22-18(20)14-17(4)11-8-10-16(3)12-9-13-19(5,6)21-7/h8,11,14-16H,9-10,12-13H2,1-7H3
• InChIKey: NFGXHKASABOEEW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: propan-2-yl 11-methoxy-3,7,11-trimethyldodeca-2,4-dienoate
• IUPAC Traditional name: isopropyl 11-methoxy-3,7,11-trimethyldodeca-2,4-dienoate
• Synonyms: Methoprene; Methoprene (racemate); 烯虫酯

Database IDs

• CAS Number: 40596-69-8
• EC Number: 254-993-2
• MDL Number: MFCD00072475
• Beilstein Number: 1913191
• PubChem SID: 24860175; 24899092; 162040223
• PubChem CID: 5366546

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.256232
• LogD (pH = 7.4): 5.256232
• Log P: 5.256232
• Molar Refractivity: 94.7925 cm^3
• Polarizability: 36.704975 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• RTECS: JR1685000
• European Hazard Symbols: Nature polluting (N); Irritant (Xi)
• UN Number: 3082
• German water hazard class: 2
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: 36/37/38-51/53
• Safety Statements: 26-36-60-61
• GHS Pictograms: GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335-H411
• GHS Precautionary statements: P261-P273-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

• Grade: analytical standard; PESTANAL®, analytical standard
• Packaging: ampule of 250 mg
• Empirical Formula (Hill Notation): C19H34O3

DETAILS

Sigma Aldrich - 33375

Legal Information
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