Abietyl acetate

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  • Identifiers

    CAS number
    54200-50-9

    Molecular formula
    C22H34O2

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

    Safety labels

  • Odor profile

    Fragrance
    Woody 87.91%
    Amber 50.14%
    Dry 47.67%
    Spicy 46.89%
    Cedar 46.47%
    Balsamic 40.45%
    Herbal 38.53%
    Vetiver 37.51%
    Sandalwood 35.66%
    Sweet 34.6%

     

    Flavor
    Woody 54.92%
    Wood 40.5%
    Herbal 40.06%
    Pine 35.25%
    Sweet 34.27%
    Balsam 29.79%
    Spice 29.59%
    Citrus 28.44%
    Camphor 27.68%
    Spicy 27.64%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.4

    pKa est.
    7.64 (neutral)

    Molecular weight
    330.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    404°C

    Flash point

    • 206.89 ˚C est.

  • Synonyms

    • Abietyl acetate
    • I0S2JS6HIS
    • 54200-50-9
    • EINECS 259-025-2
    • UNII-I0S2JS6HIS
    • ABIETYL ALCOHOL, ACETATE
    • DTXSID40904391
    • 1-Phenanthrenemethanol, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, 1-acetate, (1R,4aR,4bR,10aR)-
    • 1-Phenanthrenemethanol, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, acetate, (1R,4aR,4bR,10aR)-
    • 1-PHENANTHRENEMETHANOL, 1,2,3,4,4A,4B,5,6,10,10A-DECAHYDRO-1,4A-DIMETHYL-7-(1-METHYLETHYL)-, ACETATE, (1R-(1.ALPHA.,4A.BETA.,4B.ALPHA.,10A.ALPHA.))-
    • RefChem:108531
    • DTXCID601333547
    • 1-Phenanthrenemethanol, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, acetate, (1R-(1alpha,4abeta,4balpha,10aalpha))-
    • 259-025-2
    • SCHEMBL2447909
    • JVRVYQYYINXFCM-MYGLTJDJSA-N
    • abieta-7,13-dien-18-yl acetate
    • Q27280209
    • (1R-(1alpha,4abeta,4balpha,10aalpha))-1,2,3,4,4a,4b,5,6,10,10a-Decahydro-7-isopropyl-1,4a-dimethylphenanthren-1-methanol acetate
    • 54200-50-9

  • Applications

    Abietyl acetate (CAS 54200-50-9) is a rosin-derived ester used primarily in fragrance formulations as a fixative and scent carrier to extend perfume longevity; it is also employed in cosmetics and personal care formulations as a fragrance ingredient. In coatings, inks, and adhesives, it functions as a tackifier or plasticizer to improve film formation, adhesion, and processing of rosin-based systems; in industrial manufacturing and polymers, it can act as a resin modifier or processing aid; and in cleaning and household product formulations, it may contribute to scent profiles and product feel.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 75.48
    methanol 29.45
    isopropanol 78.22
    water 0.07
    ethyl acetate 194.63
    n-propanol 114.47
    acetone 134.89
    n-butanol 125.51
    acetonitrile 50.72
    DMF 180.52
    toluene 470.23
    isobutanol 100.07
    1,4-dioxane 319.55
    methyl acetate 108.56
    THF 468.1
    2-butanone 171.12
    n-pentanol 66.99
    sec-butanol 72.63
    n-hexane 12.87
    ethylene glycol 4.22
    NMP 186.61
    cyclohexane 55.54
    DMSO 55.72
    n-butyl acetate 148.19
    n-octanol 32.57
    chloroform 640.61
    n-propyl acetate 100.33
    acetic acid 52.88
    dichloromethane 429.67
    cyclohexanone 302.19
    propylene glycol 10.36
    isopropyl acetate 183.58
    DMAc 241.26
    2-ethoxyethanol 82.26
    isopentanol 118.54
    n-heptane 7.47
    ethyl formate 52.25
    1,2-dichloroethane 283.27
    n-hexanol 106.05
    2-methoxyethanol 107.29
    isobutyl acetate 99.67
    tetrachloromethane 72.52
    n-pentyl acetate 112.69
    transcutol 460.9
    n-heptanol 51.35
    ethylbenzene 111.57
    MIBK 153.13
    2-propoxyethanol 193.71
    tert-butanol 76.83
    MTBE 137.15
    2-butoxyethanol 116.37
    propionic acid 52.66
    o-xylene 170.26
    formic acid 11.43
    diethyl ether 222.12
    m-xylene 234.13
    p-xylene 123.36
    chlorobenzene 254.64
    dimethyl carbonate 73.3
    n-octane 2.73
    formamide 18.65
    cyclopentanone 276.22
    2-pentanone 192.75
    anisole 173.25
    cyclopentyl methyl ether 276.77
    gamma-butyrolactone 203.25
    1-methoxy-2-propanol 138.7
    pyridine 325.28
    3-pentanone 170.01
    furfural 189.14
    n-dodecane 1.98
    diethylene glycol 71.87
    diisopropyl ether 75.86
    tert-amyl alcohol 60.89
    acetylacetone 192.95
    n-hexadecane 2.51
    acetophenone 144.65
    methyl propionate 151.96
    isopentyl acetate 169.97
    trichloroethylene 519.94
    n-nonanol 36.95
    cyclohexanol 142.31
    benzyl alcohol 110.94
    2-ethylhexanol 65.31
    isooctanol 47.58
    dipropyl ether 88.45
    1,2-dichlorobenzene 218.79
    ethyl lactate 48.91
    propylene carbonate 126.01
    n-methylformamide 48.43
    2-pentanol 83.4
    n-pentane 20.69
    1-propoxy-2-propanol 137.68
    1-methoxy-2-propyl acetate 215.06
    2-(2-methoxypropoxy) propanol 107.21
    mesitylene 115.33
    ε-caprolactone 251.82
    p-cymene 56.79
    epichlorohydrin 331.01
    1,1,1-trichloroethane 254.4
    2-aminoethanol 19.82
    morpholine-4-carbaldehyde 258.03
    sulfolane 170.28
    2,2,4-trimethylpentane 9.93
    2-methyltetrahydrofuran 283.83
    n-hexyl acetate 123.16
    isooctane 8.3
    2-(2-butoxyethoxy)ethanol 149.1
    sec-butyl acetate 105.23
    tert-butyl acetate 169.02
    decalin 17.9
    glycerin 18.57
    diglyme 283.31
    acrylic acid 40.18
    isopropyl myristate 48.07
    n-butyric acid 118.59
    acetyl acetate 126.62
    di(2-ethylhexyl) phthalate 58.59
    ethyl propionate 108.22
    nitromethane 74.5
    1,2-diethoxyethane 172.0
    benzonitrile 140.7
    trioctyl phosphate 37.12
    1-bromopropane 220.06
    gamma-valerolactone 372.96
    n-decanol 25.15
    triethyl phosphate 59.6
    4-methyl-2-pentanol 64.63
    propionitrile 95.94
    vinylene carbonate 132.82
    1,1,2-trichlorotrifluoroethane 159.41
    DMS 125.22
    cumene 67.25
    2-octanol 29.06
    2-hexanone 99.41
    octyl acetate 57.58
    limonene 69.84
    1,2-dimethoxyethane 162.83
    ethyl orthosilicate 62.43
    tributyl phosphate 43.49
    diacetone alcohol 126.94
    N,N-dimethylaniline 113.94
    acrylonitrile 86.63
    aniline 244.66
    1,3-propanediol 50.62
    bromobenzene 302.96
    dibromomethane 298.57
    1,1,2,2-tetrachloroethane 426.14
    2-methyl-cyclohexyl acetate 100.11
    tetrabutyl urea 55.59
    diisobutyl methanol 40.91
    2-phenylethanol 140.5
    styrene 133.44
    dioctyl adipate 71.94
    dimethyl sulfate 83.44
    ethyl butyrate 103.56
    methyl lactate 56.11
    butyl lactate 82.48
    diethyl carbonate 71.26
    propanediol butyl ether 75.74
    triethyl orthoformate 90.96
    p-tert-butyltoluene 54.34
    methyl 4-tert-butylbenzoate 127.5
    morpholine 368.84
    tert-butylamine 62.45
    n-dodecanol 17.53
    dimethoxymethane 211.71
    ethylene carbonate 122.71
    cyrene 98.77
    2-ethoxyethyl acetate 182.6
    2-ethylhexyl acetate 141.12
    1,2,4-trichlorobenzene 241.93
    4-methylpyridine 367.08
    dibutyl ether 48.06
    2,6-dimethyl-4-heptanol 40.91
    DEF 181.84
    dimethyl isosorbide 193.66
    tetrachloroethylene 252.17
    eugenol 116.38
    triacetin 134.35
    span 80 90.73
    1,4-butanediol 17.29
    1,1-dichloroethane 270.42
    2-methyl-1-pentanol 74.09
    methyl formate 32.77
    2-methyl-1-butanol 107.95
    n-decane 4.25
    butyronitrile 105.9
    3,7-dimethyl-1-octanol 45.96
    1-chlorooctane 28.1
    1-chlorotetradecane 9.37
    n-nonane 3.51
    undecane 2.77
    tert-butylcyclohexane 13.02
    cyclooctane 15.82
    cyclopentanol 95.99
    tetrahydropyran 414.97
    tert-amyl methyl ether 104.22
    2,5,8-trioxanonane 164.49
    1-hexene 49.67
    2-isopropoxyethanol 83.32
    2,2,2-trifluoroethanol 24.21
    methyl butyrate 113.25

    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