Methyl Dehydroabietate

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  • Identifiers

    CAS number
    1235-74-1

    Molecular formula
    C21H30O2

    SMILES
    CC(C)C1=CC2=C(C=C1)[C@]3(CCC[C@@]([C@@H]3CC2)(C)C(=O)OC)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 68.8%
    Amber 43.44%
    Dry 40.06%
    Herbal 39.87%
    Spicy 37.32%
    Floral 35.33%
    Balsamic 35.25%
    Vetiver 32.97%
    Animal 32.66%
    Green 32.62%

     

    Flavor
    Woody 59.88%
    Herbal 36.94%
    Camphor 33.41%
    Wood 33.21%
    Balsam 31.58%
    Pine 29.02%
    Spice 25.42%
    Herb 24.63%
    Bitter 24.61%
    Spicy 23.67%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.9

    pKa est.
    6.92 (neutral)

    Molecular weight
    314.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    396°C

    Flash point

    • 197.24 ˚C est.

  • Synonyms

    • METHYL DEHYDROABIETATE
    • 1235-74-1
    • Methyl dehydroabietyate
    • UNII-4P47O55S2W
    • 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, (1R,4aS,10aR)-
    • methyl (1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate
    • 4P47O55S2W
    • NSC-81596
    • NSC-146198
    • 1-Phenanthrenecarboxylic acid,1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, (1R,4aS,10aR)-
    • (1R,4AS,10AR)-1,2,3,4,4A,9,10,10A-OCTAHYDRO-1,4A-DIMETHYL-7-(1-METHYLETHYL)-1-PHENANTHRENECARBOXYLIC ACID METHYL ESTER
    • 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-,methyl ester, (1R-(1alpha,4abeta,10aalpha))-
    • DTXSID10880714
    • RefChem:157839
    • DTXCID90951052
    • 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))-
    • 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))-
    • 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-(1.alpha.,4a.beta.,10a.alpha.)]-
    • PGZCJOPTDHWYES-UHFFFAOYSA-N
    • (1R,4aS,10aR)-methyl 7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylate
    • MFCD30478690
    • Methyl 8,13-abietatrien-18-oate
    • NSC 81596
    • NSC 146198
    • Methyl 8,11,13-abietatrien-18-oate
    • Podocarpa-8,13-trien-15-oic acid, 13-isopropyl-, methyl ester
    • 1,3,4,4a,9,10,10a-Octahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenecarboxylic acid, methyl ester
    • 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.)]-
    • Dehydroabietinsauremethylester
    • CHEMBL12798
    • orb2813898
    • SCHEMBL15526779
    • CHEBI:228313
    • PGZCJOPTDHWYES-HMXCVIKNSA-N
    • NSC81596
    • BDBM50483053
    • MFCD27976778
    • MSK165809
    • NSC146198
    • AKOS030241375
    • Methyl 8,11,13-Abietadien-18-oate
    • DA-55395
    • DS-19363
    • SY269551
    • CS-0163127
    • NS00076591
    • Q27260314
    • (1R,4aS,10aR)-methyl7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylate
    • METHYL (1R,4AS,10AR)-7-ISOPROPYL-1,4A-DIMETHYL-2,3,4,9,10,10A-HEXAHYDROPHENANTHRENE-1-CARBOXYLATE
    • 1235-74-1

  • Applications

    Methyl Dehydroabietate (CAS number: 1235-74-1) is a rosin-derived methyl ester commonly used in perfumery as a fragrance component and fixative to extend scent in a range of products. It also acts as a resin modifier and tackifier in adhesive and coating systems, improving adhesion and film formation. In polymer and plastics formulations, it can serve as a processing aid or compatible plasticizer component in rosin-modified resins. As an industrial intermediate, it is involved in the synthesis of other rosin-derived esters used as tackifiers and specialty additives for manufacturing processes. It may be evaluated for cosmetic and personal care applications where resinous aroma notes or fixed fragrances are desired, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 151.22
    methanol 128.64
    isopropanol 115.31
    water 0.17
    ethyl acetate 197.76
    n-propanol 168.0
    acetone 210.63
    n-butanol 173.75
    acetonitrile 79.15
    DMF 324.0
    toluene 366.08
    isobutanol 119.2
    1,4-dioxane 487.15
    methyl acetate 140.73
    THF 452.79
    2-butanone 192.61
    n-pentanol 80.42
    sec-butanol 64.3
    n-hexane 8.23
    ethylene glycol 10.47
    NMP 184.02
    cyclohexane 29.84
    DMSO 61.79
    n-butyl acetate 176.48
    n-octanol 28.92
    chloroform 701.56
    n-propyl acetate 125.29
    acetic acid 81.4
    dichloromethane 559.63
    cyclohexanone 387.06
    propylene glycol 13.96
    isopropyl acetate 178.54
    DMAc 222.68
    2-ethoxyethanol 125.11
    isopentanol 139.25
    n-heptane 4.81
    ethyl formate 95.5
    1,2-dichloroethane 385.93
    n-hexanol 116.08
    2-methoxyethanol 209.98
    isobutyl acetate 122.14
    tetrachloromethane 91.89
    n-pentyl acetate 132.06
    transcutol 306.31
    n-heptanol 57.65
    ethylbenzene 110.12
    MIBK 163.08
    2-propoxyethanol 249.73
    tert-butanol 117.34
    MTBE 143.56
    2-butoxyethanol 129.22
    propionic acid 71.47
    o-xylene 150.76
    formic acid 26.23
    diethyl ether 239.9
    m-xylene 194.29
    p-xylene 129.06
    chlorobenzene 313.49
    dimethyl carbonate 92.41
    n-octane 2.71
    formamide 49.01
    cyclopentanone 313.73
    2-pentanone 214.19
    anisole 180.96
    cyclopentyl methyl ether 222.9
    gamma-butyrolactone 273.8
    1-methoxy-2-propanol 160.61
    pyridine 411.13
    3-pentanone 164.57
    furfural 284.36
    n-dodecane 2.14
    diethylene glycol 110.04
    diisopropyl ether 65.08
    tert-amyl alcohol 65.31
    acetylacetone 214.75
    n-hexadecane 2.68
    acetophenone 162.04
    methyl propionate 154.67
    isopentyl acetate 192.48
    trichloroethylene 661.71
    n-nonanol 32.54
    cyclohexanol 125.72
    benzyl alcohol 152.23
    2-ethylhexanol 57.23
    isooctanol 52.58
    dipropyl ether 73.79
    1,2-dichlorobenzene 262.91
    ethyl lactate 47.82
    propylene carbonate 154.9
    n-methylformamide 119.45
    2-pentanol 75.12
    n-pentane 11.43
    1-propoxy-2-propanol 139.95
    1-methoxy-2-propyl acetate 213.02
    2-(2-methoxypropoxy) propanol 87.9
    mesitylene 102.41
    ε-caprolactone 278.03
    p-cymene 54.86
    epichlorohydrin 416.88
    1,1,1-trichloroethane 302.14
    2-aminoethanol 39.91
    morpholine-4-carbaldehyde 316.64
    sulfolane 193.25
    2,2,4-trimethylpentane 7.54
    2-methyltetrahydrofuran 226.24
    n-hexyl acetate 118.9
    isooctane 7.23
    2-(2-butoxyethoxy)ethanol 127.0
    sec-butyl acetate 109.09
    tert-butyl acetate 178.62
    decalin 13.74
    glycerin 24.87
    diglyme 281.3
    acrylic acid 60.67
    isopropyl myristate 44.06
    n-butyric acid 163.6
    acetyl acetate 141.63
    di(2-ethylhexyl) phthalate 60.09
    ethyl propionate 112.12
    nitromethane 137.21
    1,2-diethoxyethane 159.18
    benzonitrile 177.05
    trioctyl phosphate 36.42
    1-bromopropane 199.8
    gamma-valerolactone 517.83
    n-decanol 22.11
    triethyl phosphate 57.63
    4-methyl-2-pentanol 60.57
    propionitrile 144.33
    vinylene carbonate 190.42
    1,1,2-trichlorotrifluoroethane 183.11
    DMS 134.2
    cumene 67.05
    2-octanol 33.0
    2-hexanone 118.61
    octyl acetate 53.11
    limonene 59.35
    1,2-dimethoxyethane 260.91
    ethyl orthosilicate 62.37
    tributyl phosphate 40.86
    diacetone alcohol 132.24
    N,N-dimethylaniline 114.84
    acrylonitrile 160.49
    aniline 254.94
    1,3-propanediol 107.42
    bromobenzene 333.86
    dibromomethane 355.56
    1,1,2,2-tetrachloroethane 468.75
    2-methyl-cyclohexyl acetate 103.8
    tetrabutyl urea 53.29
    diisobutyl methanol 39.75
    2-phenylethanol 177.33
    styrene 137.67
    dioctyl adipate 66.96
    dimethyl sulfate 99.77
    ethyl butyrate 111.77
    methyl lactate 53.29
    butyl lactate 80.15
    diethyl carbonate 77.52
    propanediol butyl ether 64.14
    triethyl orthoformate 90.64
    p-tert-butyltoluene 53.52
    methyl 4-tert-butylbenzoate 134.28
    morpholine 464.63
    tert-butylamine 74.08
    n-dodecanol 15.93
    dimethoxymethane 313.82
    ethylene carbonate 167.59
    cyrene 107.93
    2-ethoxyethyl acetate 212.96
    2-ethylhexyl acetate 143.45
    1,2,4-trichlorobenzene 275.1
    4-methylpyridine 434.04
    dibutyl ether 44.43
    2,6-dimethyl-4-heptanol 39.75
    DEF 198.61
    dimethyl isosorbide 194.19
    tetrachloroethylene 341.24
    eugenol 129.27
    triacetin 110.94
    span 80 74.3
    1,4-butanediol 33.46
    1,1-dichloroethane 300.14
    2-methyl-1-pentanol 82.29
    methyl formate 84.26
    2-methyl-1-butanol 110.81
    n-decane 4.09
    butyronitrile 161.26
    3,7-dimethyl-1-octanol 36.91
    1-chlorooctane 25.86
    1-chlorotetradecane 9.71
    n-nonane 3.3
    undecane 2.82
    tert-butylcyclohexane 11.78
    cyclooctane 9.12
    cyclopentanol 86.16
    tetrahydropyran 427.2
    tert-amyl methyl ether 84.26
    2,5,8-trioxanonane 154.72
    1-hexene 39.91
    2-isopropoxyethanol 96.92
    2,2,2-trifluoroethanol 36.6
    methyl butyrate 135.72

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction