Ethyl abietate

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  • Identifiers

    CAS number
    631-71-0

    Molecular formula
    C22H34O2

    SMILES
    CCOC(=O)[C@@]1(CCC[C@]2([C@H]1CC=C3[C@@H]2CCC(=C3)C(C)C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 83.56%
    Amber 48.15%
    Cedar 43.07%
    Dry 42.84%
    Spicy 41.56%
    Balsamic 40.57%
    Fruity 40.38%
    Herbal 40.34%
    Vetiver 33.32%
    Sandalwood 32.49%

     

    Flavor
    Woody 42.02%
    Herbal 37.4%
    Wood 30.85%
    Balsam 29.77%
    Pine 29.37%
    Bitter 28.09%
    Spice 24.53%
    Camphor 24.08%
    Herb 23.98%
    Fruit 23.08%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.5

    pKa est.
    7.1 (neutral)

    Molecular weight
    330.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    394°C

    Flash point

    • 200.93 ˚C est.

  • Synonyms

    • ETHYL ABIETATE
    • 631-71-0
    • Abietic acid, ethyl ester
    • Ethyl abietate, technical
    • 46YCT42ESP
    • EINECS 211-166-0
    • Ethyl 13-isopropylpodocarpa-7,13-dien-15-oate
    • AI3-01841
    • Podocarpa-7,13-dien-15-oic acid, 13-isopropyl-, ethyl ester
    • DTXSID50212434
    • 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, ethyl ester, (1R,4aR,4bR,10aR)-
    • 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, ethyl ester, (1R-(1alpha,4abeta,4balpha,10aalpha))-
    • ethyl (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylate
    • Ethyl 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenecarboxylate, (1R-(1alpha,4abeta,4balpha,10aalpha))-
    • 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, ethyl ester, (1R-(1alpha,4a beta,4b alpha,10a alpha))-
    • RefChem:596064
    • DTXCID50134925
    • 211-166-0
    • Abietic Acid Ethyl Ester
    • (1R,4aR,4bR,10aR)-Ethyl 7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylate
    • ethyl (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate
    • UNII-46YCT42ESP
    • SCHEMBL2418156
    • CHEMBL3358315
    • AGUBCDYYAKENKG-YVNJGZBMSA-N
    • CHEBI:170129
    • Ethyl abieta-7,13-dien-18-oate
    • NS00022589
    • D88198
    • Q27258968
    • ETHYL (1R,4AR,4BR,10AR)-7-ISOPROPYL-1,4A-DIMETHYL-2,3,4,4B,5,6,10,10A-OCTAHYDROPHENANTHRENE-1-CARBOXYLATE
    • 631-71-0

  • Applications

    Ethyl abietate (CAS 631-71-0) is used in perfumery as a fragrance ingredient and fixative to help extend the scent profile of woody and resinous compositions; in cosmetics and personal care it serves as a fragrance component in creams, lotions, and cleansers. In household products it contributes aroma in detergents and cleaners. In industrial manufacturing, it is employed as a rosin-derived resin ester for tackifying and modifying rosin-based systems, including coatings, inks, and adhesives. In polymer and plastics formulations it may function as a processing aid or resin modifier within rosin-derived formulations, subject to formulation limits and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 60.74
    methanol 30.77
    isopropanol 66.68
    water 0.06
    ethyl acetate 139.85
    n-propanol 100.7
    acetone 107.59
    n-butanol 123.03
    acetonitrile 41.53
    DMF 158.59
    toluene 429.34
    isobutanol 94.91
    1,4-dioxane 271.02
    methyl acetate 93.67
    THF 356.56
    2-butanone 144.55
    n-pentanol 67.87
    sec-butanol 64.38
    n-hexane 14.44
    ethylene glycol 3.87
    NMP 195.12
    cyclohexane 58.58
    DMSO 43.28
    n-butyl acetate 139.14
    n-octanol 35.13
    chloroform 508.0
    n-propyl acetate 95.7
    acetic acid 48.8
    dichloromethane 360.35
    cyclohexanone 316.74
    propylene glycol 8.98
    isopropyl acetate 141.94
    DMAc 195.97
    2-ethoxyethanol 71.75
    isopentanol 118.5
    n-heptane 8.54
    ethyl formate 48.97
    1,2-dichloroethane 247.48
    n-hexanol 107.06
    2-methoxyethanol 89.19
    isobutyl acetate 92.34
    tetrachloromethane 73.7
    n-pentyl acetate 129.52
    transcutol 292.03
    n-heptanol 61.17
    ethylbenzene 124.57
    MIBK 141.69
    2-propoxyethanol 173.67
    tert-butanol 72.6
    MTBE 108.87
    2-butoxyethanol 115.31
    propionic acid 50.62
    o-xylene 179.38
    formic acid 10.62
    diethyl ether 174.84
    m-xylene 238.36
    p-xylene 145.35
    chlorobenzene 272.2
    dimethyl carbonate 60.2
    n-octane 3.58
    formamide 17.41
    cyclopentanone 270.5
    2-pentanone 162.32
    anisole 159.51
    cyclopentyl methyl ether 232.28
    gamma-butyrolactone 193.19
    1-methoxy-2-propanol 108.0
    pyridine 319.77
    3-pentanone 149.82
    furfural 186.94
    n-dodecane 2.83
    diethylene glycol 63.83
    diisopropyl ether 66.08
    tert-amyl alcohol 59.59
    acetylacetone 161.5
    n-hexadecane 3.55
    acetophenone 148.52
    methyl propionate 116.13
    isopentyl acetate 164.48
    trichloroethylene 460.65
    n-nonanol 40.02
    cyclohexanol 141.46
    benzyl alcohol 116.49
    2-ethylhexanol 70.3
    isooctanol 57.41
    dipropyl ether 74.38
    1,2-dichlorobenzene 241.4
    ethyl lactate 43.6
    propylene carbonate 119.04
    n-methylformamide 45.74
    2-pentanol 80.84
    n-pentane 21.97
    1-propoxy-2-propanol 125.48
    1-methoxy-2-propyl acetate 181.92
    2-(2-methoxypropoxy) propanol 95.58
    mesitylene 131.38
    ε-caprolactone 245.51
    p-cymene 68.31
    epichlorohydrin 284.84
    1,1,1-trichloroethane 228.8
    2-aminoethanol 16.86
    morpholine-4-carbaldehyde 225.29
    sulfolane 166.15
    2,2,4-trimethylpentane 11.91
    2-methyltetrahydrofuran 228.24
    n-hexyl acetate 132.44
    isooctane 10.61
    2-(2-butoxyethoxy)ethanol 129.41
    sec-butyl acetate 93.88
    tert-butyl acetate 143.96
    decalin 23.37
    glycerin 15.4
    diglyme 237.76
    acrylic acid 41.08
    isopropyl myristate 52.77
    n-butyric acid 111.86
    acetyl acetate 105.34
    di(2-ethylhexyl) phthalate 65.94
    ethyl propionate 94.3
    nitromethane 66.22
    1,2-diethoxyethane 136.6
    benzonitrile 145.77
    trioctyl phosphate 41.6
    1-bromopropane 183.72
    gamma-valerolactone 333.68
    n-decanol 27.33
    triethyl phosphate 60.69
    4-methyl-2-pentanol 68.67
    propionitrile 89.05
    vinylene carbonate 129.96
    1,1,2-trichlorotrifluoroethane 130.2
    DMS 120.17
    cumene 77.21
    2-octanol 36.95
    2-hexanone 103.93
    octyl acetate 63.37
    limonene 79.14
    1,2-dimethoxyethane 146.38
    ethyl orthosilicate 65.2
    tributyl phosphate 46.43
    diacetone alcohol 113.87
    N,N-dimethylaniline 112.0
    acrylonitrile 82.33
    aniline 220.39
    1,3-propanediol 47.24
    bromobenzene 317.77
    dibromomethane 260.17
    1,1,2,2-tetrachloroethane 363.62
    2-methyl-cyclohexyl acetate 105.5
    tetrabutyl urea 62.33
    diisobutyl methanol 45.75
    2-phenylethanol 152.15
    styrene 144.23
    dioctyl adipate 75.87
    dimethyl sulfate 69.91
    ethyl butyrate 94.93
    methyl lactate 44.81
    butyl lactate 82.84
    diethyl carbonate 67.03
    propanediol butyl ether 66.8
    triethyl orthoformate 86.89
    p-tert-butyltoluene 63.73
    methyl 4-tert-butylbenzoate 140.18
    morpholine 280.27
    tert-butylamine 59.05
    n-dodecanol 19.59
    dimethoxymethane 160.57
    ethylene carbonate 114.12
    cyrene 99.51
    2-ethoxyethyl acetate 176.86
    2-ethylhexyl acetate 138.79
    1,2,4-trichlorobenzene 261.58
    4-methylpyridine 345.76
    dibutyl ether 48.7
    2,6-dimethyl-4-heptanol 45.75
    DEF 158.38
    dimethyl isosorbide 186.03
    tetrachloroethylene 241.72
    eugenol 126.71
    triacetin 126.15
    span 80 85.62
    1,4-butanediol 18.13
    1,1-dichloroethane 218.81
    2-methyl-1-pentanol 83.6
    methyl formate 32.8
    2-methyl-1-butanol 111.18
    n-decane 5.62
    butyronitrile 97.09
    3,7-dimethyl-1-octanol 48.29
    1-chlorooctane 34.22
    1-chlorotetradecane 12.18
    n-nonane 4.52
    undecane 3.84
    tert-butylcyclohexane 16.88
    cyclooctane 19.08
    cyclopentanol 93.15
    tetrahydropyran 327.94
    tert-amyl methyl ether 88.51
    2,5,8-trioxanonane 146.8
    1-hexene 51.52
    2-isopropoxyethanol 72.23
    2,2,2-trifluoroethanol 21.78
    methyl butyrate 105.38

    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