Cas no 1235-74-1 (Methyl Dehydroabietate)

Methyl Dehydroabietate is a derivative of dehydroabietic acid, obtained through esterification with methanol. This compound is characterized by its rigid tricyclic phenanthrene structure, which imparts thermal stability and chemical resistance. It is commonly utilized as an intermediate in the synthesis of specialty chemicals, including resins, plasticizers, and surfactants. Its hydrophobic nature and compatibility with organic matrices make it suitable for applications requiring enhanced durability and adhesion. Additionally, Methyl Dehydroabietate exhibits low volatility and good solubility in common organic solvents, facilitating its incorporation into various formulations. Its stability under high-temperature conditions further expands its utility in industrial processes.
Methyl Dehydroabietate structure
Methyl Dehydroabietate structure
Product Name:Methyl Dehydroabietate
CAS No:1235-74-1
MF:C21H30O2
MW:314.461706638336
MDL:MFCD30478690
CID:152970
PubChem ID:14697
Update Time:2025-05-27

Methyl Dehydroabietate Chemical and Physical Properties

Names and Identifiers

    • 1-Phenanthrenecarboxylicacid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, methylester, (1R,4aS,10aR)-
    • (1R,4aS,10aR)-methyl 7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylate
    • 1-Phenanthrenecarboxylicacid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, ...
    • methyl (1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate
    • Methyl Dehydroabieta
    • Methyl Dehydroabietate
    • Dehydroabietic acid methyl ester
    • Methyl 8,11,13-abietatrien-18-oate
    • Phenanthrene-1-carboxylic acid, 1,2,3,4
    • Podocarpa-8,11,13-trien-15-oic acid, 13-isopropyl-, methyl ester
    • (1R,4aS,10aR)-1,2,3,4,4a,9,10,10a-Octahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenecarboxylic acid methyl ester
    • AKOS030241375
    • Methyl 8,13-abietatrien-18-oate
    • CS-0163127
    • NS00076591
    • SCHEMBL15526779
    • NSC81596
    • 4P47O55S2W
    • (1R,4aS,10aR)-methyl7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylate
    • DS-19363
    • CHEMBL12798
    • 1,3,4,4a,9,10,10a-Octahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenecarboxylic acid, methyl ester
    • NSC-146198
    • A927563
    • 1-Phenanthrenecarboxylic acid,1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, (1R,4aS,10aR)-
    • UNII-4P47O55S2W
    • PGZCJOPTDHWYES-HMXCVIKNSA-N
    • BDBM50483053
    • CHEBI:228313
    • Q27260314
    • MFCD30478690
    • NSC 81596
    • METHYL DEHYDROABIETATE [INCI]
    • 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-,methyl ester, (1R-(1alpha,4abeta,10aalpha))-
    • Methyl dehydroabietyate
    • NSC146198
    • NSC 146198
    • Dehydroabietinsauremethylester
    • NSC-81596
    • Methyl 8,11,13-Abietadien-18-oate
    • 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, (1R,4aS,10aR)-
    • 1-Phenanthrenecarboxylic acid,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, [1R-(1.alpha.,4a.beta.,10a.alpha.)]-
    • Podocarpa-8,13-trien-15-oic acid, 13-isopropyl-, methyl ester
    • 1235-74-1
    • (+)-Dehydroabietic acid methyl ester
    • DTXCID90951052
    • DA-55395
    • DTXSID10880714
    • Phenanthrene-1-carboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-7-isopropyl-1,4a-dimethyl-, methyl ester,, [1R-(1.alpha.,4a.beta.,10a.alpha.)]-
    • 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, (1R-(1alpha,4abeta,10aalpha))-
    • 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-,methyl ester, (1R-(1alpha,4abeta,10aalpha))-(9CI)
    • Phenanthrene-1-carboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-7-isopropyl-1,4a-dimethyl-, methyl ester,, (1R-(1alpha,4abeta,10aalpha))-
    • MDL: MFCD30478690
    • Inchi: 1S/C21H30O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-,21-/m1/s1
    • InChI Key: PGZCJOPTDHWYES-HMXCVIKNSA-N
    • SMILES: O(C)C([C@]1(C)CCC[C@]2(C)C3C=CC(C(C)C)=CC=3CC[C@H]21)=O

Computed Properties

  • Exact Mass: 314.2247
  • Monoisotopic Mass: 314.22458
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 3
  • Complexity: 457
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 5.9
  • Topological Polar Surface Area: 26.3

Experimental Properties

  • Density: 1.017
  • Melting Point: 63-65 oC
  • Boiling Point: 390.2°C at 760 mmHg
  • Flash Point: 184.3°C
  • Refractive Index: 1.519
  • PSA: 26.3
  • LogP: 4.99330

Methyl Dehydroabietate Security Information

Methyl Dehydroabietate Pricemore >>

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(1R,4aS,10aR)-methyl 7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylate
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abcr
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(1R,4aS,10aR)-methyl 7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylate; .
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€159.40 2023-07-10
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