gamma-Irigermanal

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  • Identifiers

    CAS number
    81456-97-5

    Molecular formula
    C31H52O3

    SMILES
    C[C@H]1CCC(=C)[C@H](C1(C)C)CC/C(=C/CC[C@]2([C@@H](/C(=C(/C)\C=O)/CC[C@]2(C)O)CCCO)C)/C

    Safety labels

  • Odor profile

    Fragrance
    Woody 86.16%
    Sandalwood 60.37%
    Amber 52.18%
    Dry 42.07%
    Powdery 39.48%
    Musk 37.98%
    Cedar 35.97%
    Vetiver 35.93%
    Balsamic 34.37%
    Orris 33.74%

     

    Flavor
    Woody 71.2%
    Floral 58.67%
    Sweet 42.29%
    Wood 38.37%
    Herbal 38.01%
    Balsam 34.13%
    Amber 30.83%
    Fresh 29.66%
    Citrus 28.03%
    Flower 27.66%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.7

    pKa est.
    6.82 (neutral)

    Molecular weight
    472.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    381°C

    Flash point

    • 228.84 ˚C est.

  • Synonyms

    • gamma-Irigermanal
    • SCHEMBL8820076
    • DTXSID801383186
    • NS00094276
    • 81456-97-5
    • 81456-97-5

  • Applications

    gamma-Irigermanal (CAS 81456-97-5) is principally used as an aroma chemical and synthetic building block in perfumery. It may serve as a fragrance ingredient in perfumes and flavor/fragrance formulations, as a reactive aldehyde intermediate for the synthesis of other aroma materials, and as a component in cosmetics/personal care products. It can also be present in household cleaning products to contribute desired odor profiles, and as an odor-active additive or precursor in polymer, plastics, or coating formulations, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 11.45
    methanol 9.87
    isopropanol 5.41
    water 0.01
    ethyl acetate 11.92
    n-propanol 14.25
    acetone 8.33
    n-butanol 11.82
    acetonitrile 1.79
    DMF 40.57
    toluene 13.4
    isobutanol 7.51
    1,4-dioxane 38.84
    methyl acetate 7.76
    THF 114.07
    2-butanone 15.08
    n-pentanol 9.43
    sec-butanol 7.54
    n-hexane 0.37
    ethylene glycol 0.41
    NMP 56.18
    cyclohexane 0.54
    DMSO 17.43
    n-butyl acetate 10.66
    n-octanol 4.9
    chloroform 49.96
    n-propyl acetate 8.81
    acetic acid 8.96
    dichloromethane 29.2
    cyclohexanone 28.64
    propylene glycol 1.95
    isopropyl acetate 11.33
    DMAc 60.99
    2-ethoxyethanol 23.73
    isopentanol 9.18
    n-heptane 0.32
    ethyl formate 5.01
    1,2-dichloroethane 13.33
    n-hexanol 10.55
    2-methoxyethanol 29.02
    isobutyl acetate 7.57
    tetrachloromethane 5.06
    n-pentyl acetate 13.82
    transcutol 119.22
    n-heptanol 8.27
    ethylbenzene 5.61
    MIBK 11.45
    2-propoxyethanol 47.08
    tert-butanol 5.59
    MTBE 9.31
    2-butoxyethanol 32.4
    propionic acid 6.75
    o-xylene 6.63
    formic acid 3.16
    diethyl ether 10.84
    m-xylene 8.63
    p-xylene 5.29
    chlorobenzene 13.39
    dimethyl carbonate 7.91
    n-octane 0.11
    formamide 4.35
    cyclopentanone 37.3
    2-pentanone 14.28
    anisole 20.13
    cyclopentyl methyl ether 24.32
    gamma-butyrolactone 34.85
    1-methoxy-2-propanol 34.43
    pyridine 31.2
    3-pentanone 10.35
    furfural 32.52
    n-dodecane 0.05
    diethylene glycol 13.26
    diisopropyl ether 2.38
    tert-amyl alcohol 7.86
    acetylacetone 17.0
    n-hexadecane 0.06
    acetophenone 17.72
    methyl propionate 13.13
    isopentyl acetate 13.52
    trichloroethylene 43.74
    n-nonanol 5.37
    cyclohexanol 7.33
    benzyl alcohol 14.6
    2-ethylhexanol 5.61
    isooctanol 6.7
    dipropyl ether 7.5
    1,2-dichlorobenzene 14.53
    ethyl lactate 7.12
    propylene carbonate 15.88
    n-methylformamide 9.96
    2-pentanol 5.82
    n-pentane 0.36
    1-propoxy-2-propanol 31.46
    1-methoxy-2-propyl acetate 29.93
    2-(2-methoxypropoxy) propanol 27.93
    mesitylene 3.9
    ε-caprolactone 31.72
    p-cymene 3.27
    epichlorohydrin 54.6
    1,1,1-trichloroethane 12.11
    2-aminoethanol 3.47
    morpholine-4-carbaldehyde 60.66
    sulfolane 47.85
    2,2,4-trimethylpentane 0.42
    2-methyltetrahydrofuran 32.12
    n-hexyl acetate 15.36
    isooctane 0.26
    2-(2-butoxyethoxy)ethanol 40.21
    sec-butyl acetate 8.22
    tert-butyl acetate 15.62
    decalin 0.49
    glycerin 4.15
    diglyme 78.62
    acrylic acid 5.62
    isopropyl myristate 3.81
    n-butyric acid 14.57
    acetyl acetate 8.3
    di(2-ethylhexyl) phthalate 8.62
    ethyl propionate 8.97
    nitromethane 13.25
    1,2-diethoxyethane 19.98
    benzonitrile 8.41
    trioctyl phosphate 4.78
    1-bromopropane 7.96
    gamma-valerolactone 73.55
    n-decanol 2.58
    triethyl phosphate 7.44
    4-methyl-2-pentanol 4.53
    propionitrile 3.69
    vinylene carbonate 15.44
    1,1,2-trichlorotrifluoroethane 37.48
    DMS 11.14
    cumene 3.59
    2-octanol 3.53
    2-hexanone 10.94
    octyl acetate 5.79
    limonene 4.03
    1,2-dimethoxyethane 40.92
    ethyl orthosilicate 8.05
    tributyl phosphate 4.87
    diacetone alcohol 19.87
    N,N-dimethylaniline 14.37
    acrylonitrile 4.54
    aniline 13.97
    1,3-propanediol 7.76
    bromobenzene 13.83
    dibromomethane 16.1
    1,1,2,2-tetrachloroethane 37.05
    2-methyl-cyclohexyl acetate 13.26
    tetrabutyl urea 7.25
    diisobutyl methanol 2.95
    2-phenylethanol 17.79
    styrene 6.33
    dioctyl adipate 9.72
    dimethyl sulfate 16.79
    ethyl butyrate 10.5
    methyl lactate 9.56
    butyl lactate 14.82
    diethyl carbonate 6.23
    propanediol butyl ether 20.33
    triethyl orthoformate 12.17
    p-tert-butyltoluene 3.32
    methyl 4-tert-butylbenzoate 26.13
    morpholine 59.28
    tert-butylamine 2.81
    n-dodecanol 1.25
    dimethoxymethane 42.86
    ethylene carbonate 11.58
    cyrene 32.06
    2-ethoxyethyl acetate 28.57
    2-ethylhexyl acetate 10.61
    1,2,4-trichlorobenzene 20.63
    4-methylpyridine 26.3
    dibutyl ether 3.56
    2,6-dimethyl-4-heptanol 2.95
    DEF 20.38
    dimethyl isosorbide 55.66
    tetrachloroethylene 22.22
    eugenol 26.28
    triacetin 21.6
    span 80 23.56
    1,4-butanediol 2.5
    1,1-dichloroethane 10.79
    2-methyl-1-pentanol 8.68
    methyl formate 5.82
    2-methyl-1-butanol 9.87
    n-decane 0.17
    butyronitrile 5.11
    3,7-dimethyl-1-octanol 4.69
    1-chlorooctane 1.63
    1-chlorotetradecane 0.29
    n-nonane 0.14
    undecane 0.09
    tert-butylcyclohexane 0.46
    cyclooctane 0.23
    cyclopentanol 7.9
    tetrahydropyran 31.09
    tert-amyl methyl ether 9.13
    2,5,8-trioxanonane 43.63
    1-hexene 2.05
    2-isopropoxyethanol 16.42
    2,2,2-trifluoroethanol 3.7
    methyl butyrate 11.3

    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