Abietic anhydride

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  • Identifiers

    CAS number
    19897-44-0

    Molecular formula
    C40H58O3

    SMILES
    CC(C)C1=CC2=CC[C@@H]3[C@@]([C@H]2CC1)(CCC[C@@]3(C)C(=O)OC(=O)[C@@]4(CCC[C@]5([C@H]4CC=C6[C@@H]5CCC(=C6)C(C)C)C)C)C

  • Odor profile

    Fragrance
    Woody 82.66%
    Balsamic 47.25%
    Amber 45.94%
    Cedar 43.03%
    Dry 41.72%
    Herbal 39.44%
    Spicy 38.15%
    Vetiver 35.14%
    Sandalwood 33.75%
    Pine 31.06%

     

    Flavor
    Woody 43.54%
    Bitter 32.07%
    Herbal 31.46%
    Wood 29.92%
    Spice 24.56%
    Pine 24.35%
    Camphor 22.73%
    Balsam 22.66%
    Cedarleaf 22.3%
    Fir needle 21.73%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.9

    pKa est.
    5.47 (weak acid)

    Molecular weight
    586.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    613°C

    Flash point

    • 287.47 ˚C est.

  • Synonyms

    • Abietic anhydride
    • Abietic acid anhydride
    • 19897-44-0
    • SCHEMBL570992
    • DTXSID80894989

  • Applications

    Abietic anhydride (CAS 19897-44-0) is a rosin-derived resinous compound, a derivative of abietic acid, primarily used as an intermediate and resin component in industrial formulations. In coatings and inks, it acts as a tackifier and resin modifier, improving adhesion and gloss. In adhesives and sealants, it serves as a tackifying resin to enhance bond performance. In polymers and plastics, it is used as a building block for rosin-modified alkyd resins and other specialty polymers, contributing to hardness and weathering resistance. In industrial manufacturing, it functions as an intermediate for rosin-derived derivatives and crosslinking agents used in specialty resins and films. In fragrance and cosmetics formulations, it may be used as a resinous fixative or fragrance modifier, subject to formulation limits and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5.55
    methanol 2.51
    isopropanol 6.91
    water 0.0
    ethyl acetate 22.73
    n-propanol 13.42
    acetone 11.99
    n-butanol 17.66
    acetonitrile 3.45
    DMF 31.76
    toluene 42.13
    isobutanol 11.4
    1,4-dioxane 34.31
    methyl acetate 16.1
    THF 78.42
    2-butanone 32.15
    n-pentanol 15.42
    sec-butanol 14.48
    n-hexane 3.96
    ethylene glycol 0.35
    NMP 85.6
    cyclohexane 4.03
    DMSO 9.4
    n-butyl acetate 22.48
    n-octanol 5.13
    chloroform 78.22
    n-propyl acetate 16.24
    acetic acid 7.55
    dichloromethane 45.28
    cyclohexanone 57.44
    propylene glycol 1.41
    isopropyl acetate 20.25
    DMAc 68.2
    2-ethoxyethanol 15.71
    isopentanol 14.4
    n-heptane 2.13
    ethyl formate 7.67
    1,2-dichloroethane 26.53
    n-hexanol 17.19
    2-methoxyethanol 15.11
    isobutyl acetate 12.71
    tetrachloromethane 12.88
    n-pentyl acetate 22.53
    transcutol 27.57
    n-heptanol 9.93
    ethylbenzene 19.78
    MIBK 19.18
    2-propoxyethanol 35.59
    tert-butanol 6.79
    MTBE 18.47
    2-butoxyethanol 21.41
    propionic acid 10.03
    o-xylene 23.29
    formic acid 1.81
    diethyl ether 26.97
    m-xylene 24.0
    p-xylene 19.5
    chlorobenzene 34.11
    dimethyl carbonate 12.24
    n-octane 0.67
    formamide 2.85
    cyclopentanone 59.26
    2-pentanone 32.92
    anisole 24.53
    cyclopentyl methyl ether 53.82
    gamma-butyrolactone 48.76
    1-methoxy-2-propanol 21.67
    pyridine 47.42
    3-pentanone 33.99
    furfural 33.03
    n-dodecane 0.3
    diethylene glycol 7.91
    diisopropyl ether 8.26
    tert-amyl alcohol 12.3
    acetylacetone 20.85
    n-hexadecane 0.38
    acetophenone 23.37
    methyl propionate 26.92
    isopentyl acetate 22.22
    trichloroethylene 64.55
    n-nonanol 6.79
    cyclohexanol 21.99
    benzyl alcohol 18.16
    2-ethylhexanol 11.15
    isooctanol 8.12
    dipropyl ether 17.88
    1,2-dichlorobenzene 28.94
    ethyl lactate 8.78
    propylene carbonate 23.34
    n-methylformamide 9.62
    2-pentanol 14.94
    n-pentane 3.73
    1-propoxy-2-propanol 27.47
    1-methoxy-2-propyl acetate 32.41
    2-(2-methoxypropoxy) propanol 17.93
    mesitylene 11.48
    ε-caprolactone 58.03
    p-cymene 8.07
    epichlorohydrin 60.45
    1,1,1-trichloroethane 32.28
    2-aminoethanol 2.2
    morpholine-4-carbaldehyde 60.43
    sulfolane 52.89
    2,2,4-trimethylpentane 2.13
    2-methyltetrahydrofuran 59.05
    n-hexyl acetate 20.5
    isooctane 1.24
    2-(2-butoxyethoxy)ethanol 18.59
    sec-butyl acetate 15.74
    tert-butyl acetate 19.2
    decalin 2.86
    glycerin 2.46
    diglyme 35.0
    acrylic acid 7.55
    isopropyl myristate 6.93
    n-butyric acid 23.73
    acetyl acetate 11.44
    di(2-ethylhexyl) phthalate 9.85
    ethyl propionate 19.15
    nitromethane 12.11
    1,2-diethoxyethane 18.54
    benzonitrile 12.96
    trioctyl phosphate 6.24
    1-bromopropane 30.6
    gamma-valerolactone 79.88
    n-decanol 4.09
    triethyl phosphate 10.75
    4-methyl-2-pentanol 8.48
    propionitrile 9.93
    vinylene carbonate 23.58
    1,1,2-trichlorotrifluoroethane 31.72
    DMS 17.51
    cumene 10.63
    2-octanol 6.11
    2-hexanone 24.05
    octyl acetate 9.48
    limonene 10.28
    1,2-dimethoxyethane 28.11
    ethyl orthosilicate 12.24
    tributyl phosphate 7.05
    diacetone alcohol 17.7
    N,N-dimethylaniline 21.09
    acrylonitrile 8.67
    aniline 30.58
    1,3-propanediol 6.2
    bromobenzene 39.13
    dibromomethane 33.57
    1,1,2,2-tetrachloroethane 56.01
    2-methyl-cyclohexyl acetate 18.94
    tetrabutyl urea 10.77
    diisobutyl methanol 5.62
    2-phenylethanol 21.31
    styrene 19.37
    dioctyl adipate 11.91
    dimethyl sulfate 19.53
    ethyl butyrate 18.11
    methyl lactate 11.15
    butyl lactate 15.58
    diethyl carbonate 9.72
    propanediol butyl ether 9.65
    triethyl orthoformate 17.2
    p-tert-butyltoluene 8.14
    methyl 4-tert-butylbenzoate 23.79
    morpholine 52.4
    tert-butylamine 5.27
    n-dodecanol 2.53
    dimethoxymethane 28.64
    ethylene carbonate 19.56
    cyrene 23.35
    2-ethoxyethyl acetate 28.55
    2-ethylhexyl acetate 21.12
    1,2,4-trichlorobenzene 41.28
    4-methylpyridine 53.74
    dibutyl ether 7.57
    2,6-dimethyl-4-heptanol 5.62
    DEF 43.35
    dimethyl isosorbide 34.18
    tetrachloroethylene 32.83
    eugenol 20.83
    triacetin 17.19
    span 80 15.72
    1,4-butanediol 2.7
    1,1-dichloroethane 29.06
    2-methyl-1-pentanol 15.33
    methyl formate 5.86
    2-methyl-1-butanol 17.52
    n-decane 0.78
    butyronitrile 12.97
    3,7-dimethyl-1-octanol 5.41
    1-chlorooctane 4.39
    1-chlorotetradecane 1.27
    n-nonane 0.65
    undecane 0.45
    tert-butylcyclohexane 2.3
    cyclooctane 2.06
    cyclopentanol 20.13
    tetrahydropyran 53.59
    tert-amyl methyl ether 22.14
    2,5,8-trioxanonane 20.79
    1-hexene 13.17
    2-isopropoxyethanol 14.13
    2,2,2-trifluoroethanol 4.04
    methyl butyrate 21.72

    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