Methyl tetrahydroabietate

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  • Identifiers

    CAS number
    19941-28-7

    Molecular formula
    C21H36O2

    SMILES
    CC(C)[C@@H]1CC[C@H]2[C@H](C1)CC[C@@H]3[C@@]2(CCC[C@@]3(C)C(=O)OC)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 81.34%
    Amber 47.94%
    Dry 46.53%
    Herbal 46.05%
    Balsamic 43.03%
    Green 42.09%
    Cedar 40.77%
    Spicy 37.44%
    Vetiver 36.16%
    Pine 35.85%

     

    Flavor
    Woody 48.51%
    Herbal 35.19%
    Pine 34.21%
    Wood 33.67%
    Sweet 32.83%
    Green 32.28%
    Herb 31.87%
    Balsam 30.56%
    Camphor 27.93%
    Spice 26.44%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    6.9

    pKa est.
    7.65 (neutral)

    Molecular weight
    320.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    381°C

    Flash point

    • 191.61 ˚C est.

  • Synonyms

    • Methyl tetrahydroabietate
    • 19941-28-7
    • Y8W24H171Y
    • EINECS 243-435-3
    • 1-Phenanthrenecarboxylic acid, tetradecahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, (1R,4aR,4bS,7R,8aS,10aR)-
    • DTXSID30885105
    • Podocarpan-15-oic acid, 13.beta.-isopropyl-, methyl ester
    • METHYL TETRAHYDROABIETIC ACID ESTER
    • TETRAHYDROABIETIC ACID, METHYL ESTER
    • 1-Phenanthrenecarboxylic acid, tetradecahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, (1theta-(1alpha,4abeta,4balpha,7beta,8abeta,10aalpha))-
    • RefChem:818092
    • DTXCID701024507
    • Podocarpan-15-oic acid, 13beta-isopropyl-, methyl ester
    • methyl (1R,4aR,4bS,7R,8aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carboxylate
    • methyl [1R-(1alpha,4abeta,4balpha,7beta,8abeta,10aalpha)]-tetradecahydro-7-isopropyl-1,4a-dimethylph
    • UNII-Y8W24H171Y
    • Methyl 13beta-abietan-18-oate
    • FJHHBOWEISXQJX-ORAJIYJMSA-N
    • Q27294385
    • Methyl (1R-(1alpha,4abeta,4balpha,7beta,8abeta,10aalpha))-tetradecahydro-7-isopropyl-1,4a-dimethylphenanthren-1-carboxylate
    • Methyl[1r-(1alpha,4abeta,4balpha,7beta,8abeta,10aalpha)]-tetradecahydro-7-isopropyl-1,4a-dimethylphenanthren-1-carboxylate
    • 19941-28-7

  • Applications

    Methyl tetrahydroabietate (CAS 19941-28-7) is used primarily as a fragrance ingredient in perfumery, where it acts as a fixative and contributes resinous, woody notes. It is also encountered in cosmetics and personal care formulations as a fragrance base or resin-derived additive, and in household products to provide odor characteristics. In polymer and coating applications, it may function as a rosin-derived plasticizer or tackifier, helping modify rheology and film formation. It can serve as an intermediate or building block in the synthesis of rosin-based resins and additives used in industrial manufacturing.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 284.13
    methanol 167.64
    isopropanol 294.92
    water 0.33
    ethyl acetate 440.52
    n-propanol 347.76
    acetone 451.31
    n-butanol 342.36
    acetonitrile 233.3
    DMF 490.08
    toluene 888.07
    isobutanol 262.26
    1,4-dioxane 930.67
    methyl acetate 260.23
    THF 1419.1
    2-butanone 365.11
    n-pentanol 121.69
    sec-butanol 154.05
    n-hexane 14.28
    ethylene glycol 15.95
    NMP 330.26
    cyclohexane 90.23
    DMSO 144.26
    n-butyl acetate 310.35
    n-octanol 62.29
    chloroform 1126.05
    n-propyl acetate 200.83
    acetic acid 143.04
    dichloromethane 838.41
    cyclohexanone 770.19
    propylene glycol 29.46
    isopropyl acetate 420.21
    DMAc 311.58
    2-ethoxyethanol 185.99
    isopentanol 302.03
    n-heptane 11.7
    ethyl formate 173.02
    1,2-dichloroethane 601.19
    n-hexanol 197.0
    2-methoxyethanol 363.78
    isobutyl acetate 178.33
    tetrachloromethane 182.48
    n-pentyl acetate 245.24
    transcutol 708.43
    n-heptanol 103.83
    ethylbenzene 182.97
    MIBK 341.72
    2-propoxyethanol 414.65
    tert-butanol 253.11
    MTBE 317.42
    2-butoxyethanol 233.49
    propionic acid 139.58
    o-xylene 334.87
    formic acid 37.74
    diethyl ether 524.83
    m-xylene 464.65
    p-xylene 215.47
    chlorobenzene 578.28
    dimethyl carbonate 152.13
    n-octane 4.85
    formamide 75.93
    cyclopentanone 738.83
    2-pentanone 455.15
    anisole 296.82
    cyclopentyl methyl ether 623.14
    gamma-butyrolactone 629.55
    1-methoxy-2-propanol 349.14
    pyridine 846.46
    3-pentanone 311.58
    furfural 527.26
    n-dodecane 3.45
    diethylene glycol 176.39
    diisopropyl ether 155.98
    tert-amyl alcohol 131.06
    acetylacetone 461.49
    n-hexadecane 4.43
    acetophenone 253.7
    methyl propionate 303.55
    isopentyl acetate 346.33
    trichloroethylene 1016.31
    n-nonanol 64.6
    cyclohexanol 307.77
    benzyl alcohol 224.21
    2-ethylhexanol 107.08
    isooctanol 95.5
    dipropyl ether 155.81
    1,2-dichlorobenzene 442.8
    ethyl lactate 83.03
    propylene carbonate 302.96
    n-methylformamide 206.0
    2-pentanol 187.52
    n-pentane 30.9
    1-propoxy-2-propanol 280.04
    1-methoxy-2-propyl acetate 417.88
    2-(2-methoxypropoxy) propanol 161.48
    mesitylene 249.11
    ε-caprolactone 565.71
    p-cymene 109.66
    epichlorohydrin 820.27
    1,1,1-trichloroethane 551.47
    2-aminoethanol 67.1
    morpholine-4-carbaldehyde 492.55
    sulfolane 408.94
    2,2,4-trimethylpentane 16.29
    2-methyltetrahydrofuran 633.38
    n-hexyl acetate 244.82
    isooctane 17.84
    2-(2-butoxyethoxy)ethanol 254.47
    sec-butyl acetate 183.77
    tert-butyl acetate 391.83
    decalin 27.61
    glycerin 54.58
    diglyme 526.6
    acrylic acid 109.48
    isopropyl myristate 80.03
    n-butyric acid 339.44
    acetyl acetate 290.64
    di(2-ethylhexyl) phthalate 95.61
    ethyl propionate 192.9
    nitromethane 246.44
    1,2-diethoxyethane 314.56
    benzonitrile 357.93
    trioctyl phosphate 61.81
    1-bromopropane 385.29
    gamma-valerolactone 981.97
    n-decanol 41.14
    triethyl phosphate 93.32
    4-methyl-2-pentanol 137.02
    propionitrile 343.32
    vinylene carbonate 327.58
    1,1,2-trichlorotrifluoroethane 323.78
    DMS 216.72
    cumene 109.1
    2-octanol 59.09
    2-hexanone 172.48
    octyl acetate 96.43
    limonene 122.6
    1,2-dimethoxyethane 399.24
    ethyl orthosilicate 98.7
    tributyl phosphate 71.64
    diacetone alcohol 273.85
    N,N-dimethylaniline 175.96
    acrylonitrile 325.56
    aniline 530.36
    1,3-propanediol 196.89
    bromobenzene 649.64
    dibromomethane 586.43
    1,1,2,2-tetrachloroethane 753.79
    2-methyl-cyclohexyl acetate 163.72
    tetrabutyl urea 83.8
    diisobutyl methanol 85.64
    2-phenylethanol 266.78
    styrene 237.74
    dioctyl adipate 112.14
    dimethyl sulfate 163.1
    ethyl butyrate 202.17
    methyl lactate 109.47
    butyl lactate 163.06
    diethyl carbonate 127.96
    propanediol butyl ether 134.76
    triethyl orthoformate 162.43
    p-tert-butyltoluene 108.33
    methyl 4-tert-butylbenzoate 235.48
    morpholine 957.45
    tert-butylamine 174.51
    n-dodecanol 28.59
    dimethoxymethane 545.77
    ethylene carbonate 308.14
    cyrene 157.57
    2-ethoxyethyl acetate 369.48
    2-ethylhexyl acetate 252.14
    1,2,4-trichlorobenzene 466.53
    4-methylpyridine 868.51
    dibutyl ether 89.56
    2,6-dimethyl-4-heptanol 85.64
    DEF 360.17
    dimethyl isosorbide 329.45
    tetrachloroethylene 507.76
    eugenol 200.85
    triacetin 219.23
    span 80 138.21
    1,4-butanediol 46.62
    1,1-dichloroethane 578.12
    2-methyl-1-pentanol 118.58
    methyl formate 143.12
    2-methyl-1-butanol 217.08
    n-decane 7.41
    butyronitrile 385.19
    3,7-dimethyl-1-octanol 81.53
    1-chlorooctane 52.13
    1-chlorotetradecane 16.37
    n-nonane 6.2
    undecane 4.82
    tert-butylcyclohexane 21.78
    cyclooctane 26.64
    cyclopentanol 263.87
    tetrahydropyran 1068.26
    tert-amyl methyl ether 172.81
    2,5,8-trioxanonane 270.72
    1-hexene 64.04
    2-isopropoxyethanol 144.79
    2,2,2-trifluoroethanol 73.25
    methyl butyrate 225.16

    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