Methyl Abietate

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  • Identifiers

    CAS number
    127-25-3

    Molecular formula
    C21H32O2

    SMILES
    CC(C)C1=CC2=CC[C@@H]3[C@@]([C@H]2CC1)(CCC[C@@]3(C)C(=O)OC)C

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Woody 83.99%
    Amber 47.17%
    Spicy 46.01%
    Dry 45.25%
    Herbal 43.76%
    Cedar 43.06%
    Balsamic 40.17%
    Vetiver 34.42%
    Pine 33.66%
    Sandalwood 32.84%

     

    Flavor
    Woody 54.06%
    Herbal 40.65%
    Wood 37.88%
    Pine 31.72%
    Spice 30.51%
    Balsam 27.88%
    Camphor 27.42%
    Herb 27.1%
    Bitter 26.28%
    Spicy 26.09%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.1

    pKa est.
    7.07 (neutral)

    Molecular weight
    316.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    387°C

    Flash point

    • 195.61 ˚C est.

  • Synonyms

    • METHYL ABIETATE
    • 127-25-3
    • Abalyn
    • Abietic acid, methyl ester
    • Methyl 7,13-abietadien-18-oate
    • 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, (1R,4aR,4bR,10aR)-
    • Methyl abietate, technical
    • UNII-BY54I7IT3L
    • BY54I7IT3L
    • DTXSID9048190
    • NSC 2141
    • NSC-2141
    • abietic acid methyl ester
    • Wood rosin, methyl ester
    • EINECS 204-832-7
    • Methyl Abietadien-18-oate
    • BRN 2702228
    • METHYL ABIETATE [MI]
    • AI3-01745
    • DTXCID0028165
    • Podocarpa-7,13-dien-15-oic acid, 13-isopropyl-, methyl ester
    • 4-09-00-02176 (Beilstein Handbook Reference)
    • (1R,4AR,4bR,10aR)-methyl 7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylate
    • methyl (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate
    • 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, (1R-(1alpha,4abeta,4balpha,10aalpha))-
    • Methyl Abietate (Technical Grade)
    • Abalyn (Salt/Mix)
    • Methyl resinate (Salt/Mix)
    • Methyl rosinate (Salt/Mix)
    • Methyl ester of wood rosin (Salt/Mix)
    • methyl abietic acid
    • Abietic Acid Methyl Ester (6CI,7CI); Methyl abietate; NSC 2141; (1R,4aR,4bR,10aR)-1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-1-Phenanthrenecarboxylic Acid Methyl Ester
    • Methyl ester of wood rosin
    • SCHEMBL316225
    • CHEMBL509586
    • NSC2141
    • OVXRPXGVKBHGQO-UYWIDEMCSA-N
    • Tox21_303509
    • AKOS027270018
    • NCGC00257509-01
    • CAS-127-25-3
    • Podocarpa-7, 13-isopropyl-, methyl ester
    • NS00012842
    • WLN: L B666 EV GUTJ A1 EY1&1 KVO1 K1
    • Q27274956
    • (1R,4AR,4bR,10aR)-methyl7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylate
    • 1-Phenanthrenecarboxylic acid,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, [1R-(1.alpha.,4a.beta.,4b.alpha.,10a.alpha.)]-
    • 204-832-7
    • Methyl 1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylic acid

  • Applications

    Methyl Abietate (CAS 127-25-3) is a rosin-derived ester used primarily in fragrance applications as a fixative and odorant component to extend aroma profiles in perfumery. In cosmetics and personal care, it can serve as a fragrance ingredient or carrier in formulations that benefit from a resin-like character. In household products, it is employed as a fragrance additive in air fresheners and scented cleaners. In industrial coatings, inks, and adhesives, it can act as a tackifying resin or plasticizer modifier, improving film formation and adhesive performance. In polymer and plastics processing, it may serve as a processing aid or compatibility modifier in rosin-based systems, aiding formulation stability.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 49.03
    methanol 30.4
    isopropanol 47.71
    water 0.05
    ethyl acetate 87.45
    n-propanol 74.7
    acetone 65.82
    n-butanol 88.19
    acetonitrile 27.28
    DMF 116.39
    toluene 342.47
    isobutanol 63.05
    1,4-dioxane 198.96
    methyl acetate 58.54
    THF 248.49
    2-butanone 89.48
    n-pentanol 42.71
    sec-butanol 37.59
    n-hexane 5.6
    ethylene glycol 3.49
    NMP 112.27
    cyclohexane 26.37
    DMSO 28.03
    n-butyl acetate 86.1
    n-octanol 20.24
    chloroform 361.99
    n-propyl acetate 57.41
    acetic acid 33.65
    dichloromethane 246.33
    cyclohexanone 192.43
    propylene glycol 6.91
    isopropyl acetate 88.52
    DMAc 117.83
    2-ethoxyethanol 52.79
    isopentanol 80.0
    n-heptane 4.16
    ethyl formate 31.87
    1,2-dichloroethane 156.38
    n-hexanol 70.0
    2-methoxyethanol 76.36
    isobutyl acetate 56.24
    tetrachloromethane 48.02
    n-pentyl acetate 73.35
    transcutol 213.68
    n-heptanol 39.61
    ethylbenzene 80.96
    MIBK 88.71
    2-propoxyethanol 128.45
    tert-butanol 50.42
    MTBE 63.3
    2-butoxyethanol 85.31
    propionic acid 33.29
    o-xylene 128.09
    formic acid 8.83
    diethyl ether 102.99
    m-xylene 175.4
    p-xylene 93.22
    chlorobenzene 177.55
    dimethyl carbonate 41.92
    n-octane 1.76
    formamide 14.96
    cyclopentanone 162.64
    2-pentanone 99.78
    anisole 114.59
    cyclopentyl methyl ether 145.89
    gamma-butyrolactone 119.23
    1-methoxy-2-propanol 84.43
    pyridine 244.45
    3-pentanone 91.85
    furfural 130.63
    n-dodecane 1.41
    diethylene glycol 54.16
    diisopropyl ether 37.07
    tert-amyl alcohol 35.67
    acetylacetone 105.21
    n-hexadecane 1.77
    acetophenone 100.95
    methyl propionate 74.68
    isopentyl acetate 101.46
    trichloroethylene 311.67
    n-nonanol 23.46
    cyclohexanol 84.58
    benzyl alcohol 88.12
    2-ethylhexanol 41.49
    isooctanol 36.31
    dipropyl ether 45.6
    1,2-dichlorobenzene 156.2
    ethyl lactate 28.28
    propylene carbonate 71.93
    n-methylformamide 34.42
    2-pentanol 48.45
    n-pentane 9.78
    1-propoxy-2-propanol 91.19
    1-methoxy-2-propyl acetate 126.21
    2-(2-methoxypropoxy) propanol 66.04
    mesitylene 87.63
    ε-caprolactone 147.67
    p-cymene 43.76
    epichlorohydrin 189.81
    1,1,1-trichloroethane 143.48
    2-aminoethanol 15.32
    morpholine-4-carbaldehyde 159.25
    sulfolane 101.99
    2,2,4-trimethylpentane 5.76
    2-methyltetrahydrofuran 132.32
    n-hexyl acetate 72.63
    isooctane 5.7
    2-(2-butoxyethoxy)ethanol 92.69
    sec-butyl acetate 56.16
    tert-butyl acetate 92.24
    decalin 11.61
    glycerin 13.02
    diglyme 172.79
    acrylic acid 27.75
    isopropyl myristate 30.85
    n-butyric acid 72.51
    acetyl acetate 68.59
    di(2-ethylhexyl) phthalate 42.51
    ethyl propionate 57.61
    nitromethane 45.17
    1,2-diethoxyethane 87.05
    benzonitrile 100.22
    trioctyl phosphate 26.16
    1-bromopropane 111.21
    gamma-valerolactone 220.61
    n-decanol 16.22
    triethyl phosphate 38.22
    4-methyl-2-pentanol 43.09
    propionitrile 62.35
    vinylene carbonate 84.25
    1,1,2-trichlorotrifluoroethane 92.86
    DMS 75.21
    cumene 50.39
    2-octanol 21.33
    2-hexanone 59.7
    octyl acetate 35.61
    limonene 46.44
    1,2-dimethoxyethane 104.5
    ethyl orthosilicate 41.82
    tributyl phosphate 27.62
    diacetone alcohol 77.74
    N,N-dimethylaniline 78.41
    acrylonitrile 61.78
    aniline 175.67
    1,3-propanediol 40.07
    bromobenzene 205.95
    dibromomethane 169.31
    1,1,2,2-tetrachloroethane 239.59
    2-methyl-cyclohexyl acetate 68.58
    tetrabutyl urea 37.44
    diisobutyl methanol 28.96
    2-phenylethanol 114.65
    styrene 96.86
    dioctyl adipate 47.78
    dimethyl sulfate 47.39
    ethyl butyrate 59.64
    methyl lactate 31.46
    butyl lactate 53.66
    diethyl carbonate 41.8
    propanediol butyl ether 48.03
    triethyl orthoformate 55.6
    p-tert-butyltoluene 42.36
    methyl 4-tert-butylbenzoate 94.31
    morpholine 204.67
    tert-butylamine 38.87
    n-dodecanol 11.46
    dimethoxymethane 121.43
    ethylene carbonate 72.11
    cyrene 71.58
    2-ethoxyethyl acetate 113.93
    2-ethylhexyl acetate 79.91
    1,2,4-trichlorobenzene 173.75
    4-methylpyridine 249.93
    dibutyl ether 25.23
    2,6-dimethyl-4-heptanol 28.96
    DEF 93.37
    dimethyl isosorbide 134.61
    tetrachloroethylene 163.71
    eugenol 89.69
    triacetin 78.47
    span 80 58.59
    1,4-butanediol 13.38
    1,1-dichloroethane 137.26
    2-methyl-1-pentanol 48.94
    methyl formate 24.02
    2-methyl-1-butanol 68.47
    n-decane 2.81
    butyronitrile 65.53
    3,7-dimethyl-1-octanol 28.5
    1-chlorooctane 17.36
    1-chlorotetradecane 6.27
    n-nonane 2.21
    undecane 1.92
    tert-butylcyclohexane 8.73
    cyclooctane 8.87
    cyclopentanol 54.64
    tetrahydropyran 212.65
    tert-amyl methyl ether 47.7
    2,5,8-trioxanonane 106.43
    1-hexene 23.74
    2-isopropoxyethanol 50.02
    2,2,2-trifluoroethanol 14.59
    methyl butyrate 63.29

    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