(-)-Galbanic acid

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  • Identifiers

    CAS number
    3566-55-0

    Molecular formula
    C24H30O5

    SMILES
    C[C@H]1CCC(=C(C)C)[C@@H]([C@@]1(C)COC2=CC3=C(C=C2)C=CC(=O)O3)CCC(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Animal 34.03%
    Balsamic 30.86%
    Odorless 30.13%
    Sweet 29.4%
    Woody 29.33%
    Dry 28.86%
    Musk 27.42%
    Powdery 24.9%
    Amber 24.66%
    Spicy 24.28%

     

    Flavor
    Bitter 40.93%
    Woody 32.35%
    Herbal 28.38%
    Floral 22.43%
    Balsam 22.35%
    Odorless 21.47%
    Lovage 20.27%
    Ethyl benzoate 20.06%
    Heather 20.02%
    Spice 19.91%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.1

    pKa est.
    7.86 (neutral)

    Molecular weight
    398.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    560°C

    Flash point

    • 220.86 ˚C est.

  • Synonyms

    • Galbanic acid
    • 3566-55-0
    • Asacoumarin B
    • (-)-GALBANIC ACID
    • 9OFS0HWC92
    • 3-[(1S,2S,3S)-2,3-dimethyl-2-[(2-oxochromen-7-yl)oxymethyl]-6-propan-2-ylidenecyclohexyl]propanoic acid
    • DTXSID60189163
    • 2-Cyclohexene-1-butanoic acid, 6-(((2-oxo-2H-1-benzopyran-7-yl)oxy)methyl)-alpha,2,3,6-tetramethyl-
    • 3-((1S,2S,3S)-2,3-dimethyl-2-((2-oxochromen-7-yl)oxymethyl)-6-propan-2-ylidenecyclohexyl)propanoic acid
    • RefChem:37147
    • DTXCID90111654
    • 3-((1S,2S,3S)-2,3-Dimethyl-2-(((2-oxo-2H-chromen-7-yl)oxy)methyl)-6-(propan-2-ylidene)cyclohexyl)propanoic acid
    • 3-[(1S,2S,3S)-2,3-dimethyl-2-{[(2-oxo-2H-chromen-7-yl)oxy]methyl}-6-(propan-2-ylidene)cyclohexyl]propanoic acid
    • 3-(2,3-dimethyl-2-{[(2-oxo-2H-chromen-7-yl)oxy]methyl}-6-(propan-2-ylidene)cyclohexyl)propanoic acid
    • UNII-9OFS0HWC92
    • orb1990120
    • CHEMBL1078509
    • SCHEMBL12385429
    • CHEBI:175181
    • STL564675
    • AKOS001580949
    • NCGC00342395-01
    • AB01334084-02
    • Q27272827
    • 2-CYCLOHEXENE-1-BUTANOIC ACID, 6-(((2-OXO-2H-1-BENZOPYRAN-7-YL)OXY)METHYL)-.ALPHA.,2,3,6-TETRAMETHYL-
    • CYCLOHEXANEPROPANOIC ACID, 2,3-DIMETHYL-6-(1-METHYLETHYLIDENE)-2-(((2-OXO-2H-1-BENZOPYRAN-7-YL)OXY)METHYL)-, (1S,2S,3S)-
    • 3566-55-0

  • Applications

    (-)-Galbanic acid, a natural product constituent of galbanum resin, may be used as an odorant or fragrance ingredient in perfumery, and as a fragrance component in cosmetic formulations. It may serve as a chemical intermediate or starting material for the synthesis of more complex terpenoid derivatives in industrial manufacturing; because of its chirality, it can function as a chiral building block in asymmetric synthesis and natural product chemistry. In research contexts, it may be used as a reference substrate for developing related sesquiterpenoid frameworks.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 12.21
    methanol 18.58
    isopropanol 5.76
    water 0.01
    ethyl acetate 5.7
    n-propanol 13.98
    acetone 9.3
    n-butanol 7.59
    acetonitrile 2.52
    DMF 46.12
    toluene 3.31
    isobutanol 6.81
    1,4-dioxane 19.52
    methyl acetate 8.64
    THF 53.79
    2-butanone 16.03
    n-pentanol 5.41
    sec-butanol 6.32
    n-hexane 0.05
    ethylene glycol 1.71
    NMP 42.01
    cyclohexane 0.07
    DMSO 40.79
    n-butyl acetate 4.52
    n-octanol 1.29
    chloroform 44.25
    n-propyl acetate 4.18
    acetic acid 16.57
    dichloromethane 48.67
    cyclohexanone 21.13
    propylene glycol 3.78
    isopropyl acetate 4.29
    DMAc 83.29
    2-ethoxyethanol 22.13
    isopentanol 5.41
    n-heptane 0.04
    ethyl formate 4.24
    1,2-dichloroethane 20.38
    n-hexanol 3.46
    2-methoxyethanol 35.16
    isobutyl acetate 3.08
    tetrachloromethane 1.66
    n-pentyl acetate 5.03
    transcutol 57.61
    n-heptanol 2.73
    ethylbenzene 1.32
    MIBK 5.1
    2-propoxyethanol 27.48
    tert-butanol 4.54
    MTBE 3.12
    2-butoxyethanol 14.49
    propionic acid 10.66
    o-xylene 2.09
    formic acid 9.44
    diethyl ether 2.96
    m-xylene 1.9
    p-xylene 1.9
    chlorobenzene 6.19
    dimethyl carbonate 6.7
    n-octane 0.02
    formamide 15.44
    cyclopentanone 30.56
    2-pentanone 7.84
    anisole 6.32
    cyclopentyl methyl ether 7.31
    gamma-butyrolactone 31.84
    1-methoxy-2-propanol 25.19
    pyridine 22.89
    3-pentanone 6.49
    furfural 28.08
    n-dodecane 0.02
    diethylene glycol 16.7
    diisopropyl ether 0.57
    tert-amyl alcohol 5.47
    acetylacetone 11.03
    n-hexadecane 0.03
    acetophenone 8.51
    methyl propionate 8.92
    isopentyl acetate 5.81
    trichloroethylene 60.53
    n-nonanol 1.56
    cyclohexanol 4.32
    benzyl alcohol 9.04
    2-ethylhexanol 1.65
    isooctanol 2.32
    dipropyl ether 1.52
    1,2-dichlorobenzene 6.29
    ethyl lactate 4.67
    propylene carbonate 10.14
    n-methylformamide 19.27
    2-pentanol 2.74
    n-pentane 0.04
    1-propoxy-2-propanol 12.71
    1-methoxy-2-propyl acetate 11.87
    2-(2-methoxypropoxy) propanol 13.68
    mesitylene 0.85
    ε-caprolactone 20.3
    p-cymene 0.86
    epichlorohydrin 69.42
    1,1,1-trichloroethane 7.53
    2-aminoethanol 7.73
    morpholine-4-carbaldehyde 51.27
    sulfolane 45.8
    2,2,4-trimethylpentane 0.07
    2-methyltetrahydrofuran 14.32
    n-hexyl acetate 4.95
    isooctane 0.04
    2-(2-butoxyethoxy)ethanol 17.12
    sec-butyl acetate 3.05
    tert-butyl acetate 5.08
    decalin 0.08
    glycerin 7.72
    diglyme 37.91
    acrylic acid 11.13
    isopropyl myristate 1.33
    n-butyric acid 11.82
    acetyl acetate 4.15
    di(2-ethylhexyl) phthalate 3.7
    ethyl propionate 3.7
    nitromethane 25.39
    1,2-diethoxyethane 7.42
    benzonitrile 4.86
    trioctyl phosphate 1.89
    1-bromopropane 4.65
    gamma-valerolactone 60.85
    n-decanol 0.92
    triethyl phosphate 3.17
    4-methyl-2-pentanol 1.78
    propionitrile 3.63
    vinylene carbonate 11.76
    1,1,2-trichlorotrifluoroethane 47.0
    DMS 7.9
    cumene 1.0
    2-octanol 1.15
    2-hexanone 6.08
    octyl acetate 2.0
    limonene 0.93
    1,2-dimethoxyethane 27.51
    ethyl orthosilicate 3.12
    tributyl phosphate 2.21
    diacetone alcohol 11.52
    N,N-dimethylaniline 4.6
    acrylonitrile 6.52
    aniline 8.67
    1,3-propanediol 13.33
    bromobenzene 5.01
    dibromomethane 15.31
    1,1,2,2-tetrachloroethane 41.9
    2-methyl-cyclohexyl acetate 4.81
    tetrabutyl urea 3.63
    diisobutyl methanol 1.02
    2-phenylethanol 8.4
    styrene 1.54
    dioctyl adipate 3.46
    dimethyl sulfate 15.86
    ethyl butyrate 3.25
    methyl lactate 8.74
    butyl lactate 6.92
    diethyl carbonate 2.45
    propanediol butyl ether 9.42
    triethyl orthoformate 3.74
    p-tert-butyltoluene 0.79
    methyl 4-tert-butylbenzoate 10.59
    morpholine 34.49
    tert-butylamine 1.28
    n-dodecanol 0.54
    dimethoxymethane 26.92
    ethylene carbonate 8.35
    cyrene 16.88
    2-ethoxyethyl acetate 13.45
    2-ethylhexyl acetate 4.05
    1,2,4-trichlorobenzene 10.34
    4-methylpyridine 16.08
    dibutyl ether 1.16
    2,6-dimethyl-4-heptanol 1.02
    DEF 11.81
    dimethyl isosorbide 26.21
    tetrachloroethylene 23.04
    eugenol 12.55
    triacetin 9.51
    span 80 9.26
    1,4-butanediol 4.39
    1,1-dichloroethane 10.88
    2-methyl-1-pentanol 4.71
    methyl formate 11.26
    2-methyl-1-butanol 6.27
    n-decane 0.05
    butyronitrile 2.96
    3,7-dimethyl-1-octanol 1.5
    1-chlorooctane 0.48
    1-chlorotetradecane 0.14
    n-nonane 0.03
    undecane 0.03
    tert-butylcyclohexane 0.08
    cyclooctane 0.02
    cyclopentanol 6.67
    tetrahydropyran 10.29
    tert-amyl methyl ether 2.83
    2,5,8-trioxanonane 21.32
    1-hexene 0.42
    2-isopropoxyethanol 12.64
    2,2,2-trifluoroethanol 6.85
    methyl butyrate 5.57

    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