Iridogermanal

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  • Identifiers

    CAS number
    81456-98-6

    Molecular formula
    C30H50O4

    SMILES
    CC(=CC(C/C(=C/CC/C(=C/CCC1(C(/C(=C(/C)\C=O)/CCC1(C)O)CCCO)C)/C)/C)O)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 63.46%
    Floral 61.43%
    Sweet 46.9%
    Sandalwood 40.64%
    Powdery 35.17%
    Waxy 34.8%
    Fresh 34.09%
    Balsamic 33.63%
    Amber 32.66%
    Dry 31.72%

     

    Flavor
    Floral 73.97%
    Woody 52.08%
    Sweet 49.29%
    Herbal 43.99%
    Flower 39.46%
    Citrus 36.67%
    Fresh 35.89%
    Waxy 35.64%
    Green 32.64%
    Wood 31.74%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.8

    pKa est.
    7.63 (neutral)

    Molecular weight
    474.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    690°C

    Flash point

    • 242.25 ˚C est.

  • Synonyms

    • IRIDOGERMANAL
    • 81456-98-6
    • (2Z)-2-[4-hydroxy-2-(3-hydroxypropyl)-3-[(3E,7E)-10-hydroxy-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dimethylcyclohexylidene]propanal
    • DTXSID60420028
    • (2Z)-2-(4-hydroxy-2-(3-hydroxypropyl)-3-((3E,7E)-10-hydroxy-4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dimethylcyclohexylidene)propanal
    • RefChem:148721
    • DTXCID40370875
    • NSC360038
    • SCHEMBL168540
    • CHEMBL1980941
    • NSC-360038
    • FI162559
    • (2Z)-2-{4-Hydroxy-2-(3-hydroxypropyl)-3-[(3E,7E)-10-hydroxy-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-3,4-dimethylcyclohexylidene}propanal
    • 81456-98-6

  • Applications

    Iridogermanal is primarily encountered as a fragrance-related chemical and is evaluated as a fragrance ingredient or odorant, potentially serving as a fixative or note modifier in perfumery. It is commonly used as an intermediate in organic synthesis, providing a building block for more complex molecules in chemical manufacturing. In cosmetics and personal care, it may be employed as a fragrance additive within formulated products, subject to formulation limits and regulatory requirements. In household products, it can function as a fragrance or odorant additive to impart specific scent profiles. In coatings, inks, and adhesives, it may be used as a specialty chemical intermediate or processing aid, with its use governed by local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 12.48
    methanol 24.76
    isopropanol 2.29
    water 0.02
    ethyl acetate 6.19
    n-propanol 10.84
    acetone 7.11
    n-butanol 7.34
    acetonitrile 1.15
    DMF 40.59
    toluene 4.79
    isobutanol 4.79
    1,4-dioxane 25.44
    methyl acetate 4.97
    THF 81.53
    2-butanone 10.61
    n-pentanol 8.79
    sec-butanol 4.37
    n-hexane 0.33
    ethylene glycol 0.52
    NMP 64.74
    cyclohexane 0.35
    DMSO 26.11
    n-butyl acetate 7.09
    n-octanol 5.25
    chloroform 22.45
    n-propyl acetate 6.39
    acetic acid 10.62
    dichloromethane 16.7
    cyclohexanone 23.66
    propylene glycol 1.97
    isopropyl acetate 5.1
    DMAc 68.01
    2-ethoxyethanol 24.85
    isopentanol 5.37
    n-heptane 0.26
    ethyl formate 5.11
    1,2-dichloroethane 7.96
    n-hexanol 7.92
    2-methoxyethanol 28.42
    isobutyl acetate 5.69
    tetrachloromethane 2.5
    n-pentyl acetate 11.15
    transcutol 86.74
    n-heptanol 7.75
    ethylbenzene 3.14
    MIBK 6.96
    2-propoxyethanol 35.91
    tert-butanol 2.8
    MTBE 4.52
    2-butoxyethanol 30.4
    propionic acid 5.83
    o-xylene 3.15
    formic acid 5.57
    diethyl ether 5.23
    m-xylene 3.34
    p-xylene 3.06
    chlorobenzene 5.75
    dimethyl carbonate 5.69
    n-octane 0.12
    formamide 6.06
    cyclopentanone 28.98
    2-pentanone 8.55
    anisole 11.55
    cyclopentyl methyl ether 14.88
    gamma-butyrolactone 28.9
    1-methoxy-2-propanol 22.79
    pyridine 19.86
    3-pentanone 6.91
    furfural 26.01
    n-dodecane 0.06
    diethylene glycol 11.66
    diisopropyl ether 1.07
    tert-amyl alcohol 4.96
    acetylacetone 11.69
    n-hexadecane 0.07
    acetophenone 13.22
    methyl propionate 8.36
    isopentyl acetate 8.63
    trichloroethylene 23.97
    n-nonanol 5.72
    cyclohexanol 4.7
    benzyl alcohol 10.59
    2-ethylhexanol 4.59
    isooctanol 6.17
    dipropyl ether 4.69
    1,2-dichlorobenzene 6.67
    ethyl lactate 6.34
    propylene carbonate 12.32
    n-methylformamide 11.9
    2-pentanol 2.68
    n-pentane 0.21
    1-propoxy-2-propanol 21.63
    1-methoxy-2-propyl acetate 17.29
    2-(2-methoxypropoxy) propanol 24.28
    mesitylene 1.68
    ε-caprolactone 25.03
    p-cymene 1.95
    epichlorohydrin 39.36
    1,1,1-trichloroethane 5.1
    2-aminoethanol 3.97
    morpholine-4-carbaldehyde 55.21
    sulfolane 49.05
    2,2,4-trimethylpentane 0.26
    2-methyltetrahydrofuran 22.48
    n-hexyl acetate 13.55
    isooctane 0.14
    2-(2-butoxyethoxy)ethanol 34.84
    sec-butyl acetate 5.01
    tert-butyl acetate 8.58
    decalin 0.38
    glycerin 4.6
    diglyme 59.39
    acrylic acid 5.77
    isopropyl myristate 3.0
    n-butyric acid 10.13
    acetyl acetate 4.83
    di(2-ethylhexyl) phthalate 7.73
    ethyl propionate 6.22
    nitromethane 12.87
    1,2-diethoxyethane 13.08
    benzonitrile 5.31
    trioctyl phosphate 4.43
    1-bromopropane 4.2
    gamma-valerolactone 64.98
    n-decanol 2.89
    triethyl phosphate 5.31
    4-methyl-2-pentanol 2.41
    propionitrile 2.27
    vinylene carbonate 12.22
    1,1,2-trichlorotrifluoroethane 31.84
    DMS 7.68
    cumene 2.26
    2-octanol 3.29
    2-hexanone 9.19
    octyl acetate 5.02
    limonene 2.68
    1,2-dimethoxyethane 35.58
    ethyl orthosilicate 5.87
    tributyl phosphate 4.23
    diacetone alcohol 13.79
    N,N-dimethylaniline 9.35
    acrylonitrile 3.25
    aniline 6.51
    1,3-propanediol 6.31
    bromobenzene 5.3
    dibromomethane 8.54
    1,1,2,2-tetrachloroethane 19.0
    2-methyl-cyclohexyl acetate 10.34
    tetrabutyl urea 7.14
    diisobutyl methanol 1.92
    2-phenylethanol 12.81
    styrene 3.34
    dioctyl adipate 8.06
    dimethyl sulfate 13.25
    ethyl butyrate 6.91
    methyl lactate 7.75
    butyl lactate 12.9
    diethyl carbonate 4.06
    propanediol butyl ether 19.94
    triethyl orthoformate 8.19
    p-tert-butyltoluene 1.85
    methyl 4-tert-butylbenzoate 19.29
    morpholine 42.54
    tert-butylamine 1.34
    n-dodecanol 1.48
    dimethoxymethane 32.02
    ethylene carbonate 8.97
    cyrene 32.07
    2-ethoxyethyl acetate 20.69
    2-ethylhexyl acetate 7.29
    1,2,4-trichlorobenzene 10.02
    4-methylpyridine 14.11
    dibutyl ether 3.32
    2,6-dimethyl-4-heptanol 1.92
    DEF 16.49
    dimethyl isosorbide 44.03
    tetrachloroethylene 12.98
    eugenol 22.3
    triacetin 17.03
    span 80 21.68
    1,4-butanediol 2.88
    1,1-dichloroethane 4.27
    2-methyl-1-pentanol 8.19
    methyl formate 7.25
    2-methyl-1-butanol 6.81
    n-decane 0.19
    butyronitrile 2.91
    3,7-dimethyl-1-octanol 4.09
    1-chlorooctane 1.58
    1-chlorotetradecane 0.33
    n-nonane 0.16
    undecane 0.1
    tert-butylcyclohexane 0.35
    cyclooctane 0.16
    cyclopentanol 5.39
    tetrahydropyran 19.15
    tert-amyl methyl ether 5.4
    2,5,8-trioxanonane 35.44
    1-hexene 1.7
    2-isopropoxyethanol 15.26
    2,2,2-trifluoroethanol 3.42
    methyl butyrate 8.94

    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