Cas no 6084-76-0 ((±)-trans-9,10-Epoxystearic Acid Methyl Ester)

(±)-trans-9,10-Epoxystearic Acid Methyl Ester is a synthetic fatty acid derivative characterized by its epoxide functional group at the 9,10-position of the stearic acid backbone. This compound is commonly utilized in organic synthesis and polymer chemistry due to its reactivity, serving as a versatile intermediate for cross-linking, polymerization, or further functionalization. Its methyl ester group enhances solubility in organic solvents, facilitating handling in laboratory and industrial applications. The epoxide moiety enables ring-opening reactions, making it valuable for producing modified lipids, surfactants, or specialty chemicals. The racemic (±)-trans configuration ensures broad compatibility in synthetic pathways. This compound is particularly useful in research involving epoxy fatty acid metabolism or bio-based material development.
(±)-trans-9,10-Epoxystearic Acid Methyl Ester structure
6084-76-0 structure
Product Name:(±)-trans-9,10-Epoxystearic Acid Methyl Ester
CAS No:6084-76-0
MF:C19H36O3
MW:312.48734664917
CID:509464
PubChem ID:6454051
Update Time:2025-05-27

(±)-trans-9,10-Epoxystearic Acid Methyl Ester Chemical and Physical Properties

Names and Identifiers

    • 2-Oxiraneoctanoic acid,3-octyl-, methyl ester, (2R,3R)-rel-
    • (+/-)-TRANS-9,10-EPOXYOCTADECANOIC ACID METHYL ESTER
    • TRANS-9,10-EPOXYSTEARIC ACID METHYL ESTER
    • Epoxy fatty acids methyl ester
    • (±)-trans-9,10-Epoxystearic Acid Methyl Ester
    • (±)-TRANS-9,10-EPOXYOCTADECANOIC ACID METHYL ESTER
    • (+-)-erythro-9,10-epoxy-octadecanoic acid methyl ester
    • (+-)-erythro-9,10-Epoxy-octadecansaeure-methylester
    • (Z)-9,10-epoxyoctadecanoic acid methyl ester
    • cis-3-octyloxiraneoctanoic acid methyl ester
    • Methyl (Z)-9,10-epoxyoctadecanoate
    • methyl 8-(3-octyloxiran-2-yl)octanoate
    • methyl cis-9,10-epoxyoctadecanoate
    • Methyl trans-9,10-epoxyoctadecanoate
    • Methyl (+/-)-trans-9,10-Epoxyoctadecanoate
    • methyl 8-((2R,3R)-3-octyloxiran-2-yl)octanoate
    • 6084-76-0
    • CAMHHLOGFDZBBG-QZTJIDSGSA-N
    • methyl 8-[(2R,3R)-3-octyloxiran-2-yl]octanoate
    • Methyl 3-octyloxiraneoctanoate
    • Methyl trans-9,10-epoxystearate
    • (+/-)-trans-9,10-Epoxystearic Acid Methyl Ester
    • DTXSID901338158
    • Methyl 8-(3-octyl-2-oxiranyl)octanoate, trans
    • trans-9,10-Epoxy-octadecanoic Acid Methyl Ester
    • (2R,3R)-rel-Methyl 3-octyl-2-oxiraneoctanoate
    • Octadecanoic acid, 9,10-epoxy-, methyl ester, trans-
    • (2R,3R)-rel-3-Octyl-2-oxiraneoctanoic Acid Methyl Ester
    • Oxiraneoctanoic acid, 3-octyl-, methyl ester, trans-
    • Inchi： 1S/C19H36O3/c1-3-4-5-6-8-11-14-17-18(22-17)15-12-9-7-10-13-16-19(20)21-2/h17-18H,3-16H2,1-2H3/t17-,18-/m1/s1
    • InChI Key： CAMHHLOGFDZBBG-QZTJIDSGSA-N
    • SMILES： O1[C@H](CCCCCCCC(=O)OC)[C@H]1CCCCCCCC

Computed Properties

  • Exact Mass: 312.26600
  • Monoisotopic Mass: 312.266445
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 16
  • Complexity: 278
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 38.8
  • XLogP3: 6.5

Experimental Properties

  • Density: 0.925
  • Melting Point: Not available
  • Boiling Point: 385.9 °C at 760 mmHg
  • Flash Point: 149 °C
  • Refractive Index: 1.454
  • PSA: 38.83000
  • LogP: 5.40810
  • Vapor Pressure: 0.0±0.9 mmHg at 25°C

(±)-trans-9,10-Epoxystearic Acid Methyl Ester Security Information

(±)-trans-9,10-Epoxystearic Acid Methyl Ester Customs Data

  • HS CODE：2309909000
  • Customs Data：

    China Customs Code:

    2309909000

(±)-trans-9,10-Epoxystearic Acid Methyl Ester Pricemore >>

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