Gigantetronenin

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  • Identifiers

    CAS number
    145403-31-2

    Molecular formula
    C37H66O7

    SMILES
    CCCCCCCCCCCC/C=C/CCC(C(CCC(C1CCC(O1)CCCCCC(CC2=CC(OC2=O)C)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Oily 38.8%
    Lactonic 32.24%
    Fruity 31.33%
    Fatty 31.18%
    Peach 30.82%
    Odorless 30.79%
    Waxy 30.53%
    Fresh 27.37%
    Milky 27.14%
    Sweet 27.06%

     

    Flavor
    Mild 29.3%
    Bland 27.88%
    Odorless 27.41%
    Waxy 27.35%
    Fatty 26.9%
    Herbal 24.66%
    Oily 22.94%
    Slightly waxy 21.05%
    Delicate 20.76%
    Cedarleaf 20.4%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.1

    pKa est.
    6.16 (neutral)

    Molecular weight
    622.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1659°C

    Flash point

    • 238.57 ˚C est.

  • Synonyms

    • Gigantetronenin
    • 2(5H)-Furanone, 3-(2-hydroxy-7-(tetrahydro-5-(1,4,5-trihydroxy-8-heneicosenyl)-2-furanyl)heptyl)-5-methyl-
    • CHEBI:65962
    • 3-(2-hydroxy-7-(5-((8E)-1,4,5-trihydroxyhenicos-8-en-1-yl)oxolan-2-yl)heptyl)-5-methyl-2,5-dihydrofuran-2-one
    • 3-(2-hydroxy-7-{5-[(8E)-1,4,5-trihydroxyhenicos-8-en-1-yl]oxolan-2-yl}heptyl)-5-methyl-2,5-dihydrofuran-2-one
    • RefChem:922210
    • 145403-31-2
    • 4-[2-hydroxy-7-[5-[(E)-1,4,5-trihydroxyhenicos-8-enyl]oxolan-2-yl]heptyl]-2-methyl-2H-furan-5-one
    • 145403-31-2

  • Applications

    Gigantetronenin (CAS 145403-31-2) is used in several industrial contexts as an intermediate in chemical synthesis and as a processing aid or solvent in manufacturing. It may function as a stabilizer or plasticizer in polymers and plastics, and as an odorant or fixative in perfumery. In cosmetics and personal care formulations it can act as a solvent or carrier, and in coatings/inks and cleaning products as an additive to improve performance. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4.98
    methanol 9.75
    isopropanol 2.04
    water 0.08
    ethyl acetate 8.61
    n-propanol 5.18
    acetone 10.92
    n-butanol 4.57
    acetonitrile 2.53
    DMF 24.95
    toluene 4.2
    isobutanol 3.0
    1,4-dioxane 21.27
    methyl acetate 7.21
    THF 71.03
    2-butanone 12.94
    n-pentanol 5.04
    sec-butanol 3.46
    n-hexane 0.38
    ethylene glycol 0.88
    NMP 80.85
    cyclohexane 0.65
    DMSO 41.27
    n-butyl acetate 7.18
    n-octanol 8.58
    chloroform 33.79
    n-propyl acetate 8.02
    acetic acid 19.63
    dichloromethane 30.16
    cyclohexanone 36.61
    propylene glycol 2.13
    isopropyl acetate 8.24
    DMAc 76.81
    2-ethoxyethanol 18.93
    isopentanol 4.04
    n-heptane 0.47
    ethyl formate 7.38
    1,2-dichloroethane 13.46
    n-hexanol 3.89
    2-methoxyethanol 20.62
    isobutyl acetate 5.68
    tetrachloromethane 4.39
    n-pentyl acetate 21.29
    transcutol 92.28
    n-heptanol 7.71
    ethylbenzene 3.72
    MIBK 8.46
    2-propoxyethanol 18.76
    tert-butanol 2.55
    MTBE 5.38
    2-butoxyethanol 27.88
    propionic acid 8.58
    o-xylene 4.19
    formic acid 9.34
    diethyl ether 4.44
    m-xylene 3.58
    p-xylene 3.73
    chlorobenzene 6.75
    dimethyl carbonate 8.28
    n-octane 0.38
    formamide 11.12
    cyclopentanone 44.37
    2-pentanone 11.5
    anisole 10.16
    cyclopentyl methyl ether 19.5
    gamma-butyrolactone 49.3
    1-methoxy-2-propanol 17.25
    pyridine 17.73
    3-pentanone 10.61
    furfural 40.17
    n-dodecane 0.3
    diethylene glycol 8.35
    diisopropyl ether 1.7
    tert-amyl alcohol 4.77
    acetylacetone 19.81
    n-hexadecane 0.35
    acetophenone 15.21
    methyl propionate 10.49
    isopentyl acetate 8.62
    trichloroethylene 35.48
    n-nonanol 9.64
    cyclohexanol 6.66
    benzyl alcohol 8.93
    2-ethylhexanol 3.5
    isooctanol 6.48
    dipropyl ether 5.23
    1,2-dichlorobenzene 9.4
    ethyl lactate 8.6
    propylene carbonate 22.83
    n-methylformamide 11.28
    2-pentanol 2.7
    n-pentane 0.28
    1-propoxy-2-propanol 14.33
    1-methoxy-2-propyl acetate 15.81
    2-(2-methoxypropoxy) propanol 26.38
    mesitylene 2.03
    ε-caprolactone 45.5
    p-cymene 2.44
    epichlorohydrin 51.77
    1,1,1-trichloroethane 11.23
    2-aminoethanol 3.3
    morpholine-4-carbaldehyde 61.65
    sulfolane 95.05
    2,2,4-trimethylpentane 0.43
    2-methyltetrahydrofuran 26.38
    n-hexyl acetate 24.2
    isooctane 0.2
    2-(2-butoxyethoxy)ethanol 37.71
    sec-butyl acetate 6.94
    tert-butyl acetate 11.86
    decalin 0.8
    glycerin 5.51
    diglyme 69.48
    acrylic acid 8.97
    isopropyl myristate 6.51
    n-butyric acid 16.2
    acetyl acetate 9.42
    di(2-ethylhexyl) phthalate 9.1
    ethyl propionate 8.21
    nitromethane 27.83
    1,2-diethoxyethane 18.03
    benzonitrile 6.47
    trioctyl phosphate 6.71
    1-bromopropane 5.61
    gamma-valerolactone 94.88
    n-decanol 5.34
    triethyl phosphate 7.27
    4-methyl-2-pentanol 2.38
    propionitrile 2.86
    vinylene carbonate 21.15
    1,1,2-trichlorotrifluoroethane 52.59
    DMS 11.42
    cumene 2.75
    2-octanol 5.07
    2-hexanone 10.69
    octyl acetate 10.53
    limonene 3.79
    1,2-dimethoxyethane 27.94
    ethyl orthosilicate 7.89
    tributyl phosphate 7.27
    diacetone alcohol 16.76
    N,N-dimethylaniline 9.22
    acrylonitrile 4.22
    aniline 6.21
    1,3-propanediol 5.71
    bromobenzene 7.05
    dibromomethane 13.96
    1,1,2,2-tetrachloroethane 33.88
    2-methyl-cyclohexyl acetate 11.28
    tetrabutyl urea 11.54
    diisobutyl methanol 2.17
    2-phenylethanol 7.97
    styrene 3.48
    dioctyl adipate 13.22
    dimethyl sulfate 23.26
    ethyl butyrate 8.01
    methyl lactate 11.59
    butyl lactate 20.46
    diethyl carbonate 4.88
    propanediol butyl ether 22.55
    triethyl orthoformate 10.3
    p-tert-butyltoluene 2.31
    methyl 4-tert-butylbenzoate 27.97
    morpholine 32.33
    tert-butylamine 1.39
    n-dodecanol 3.02
    dimethoxymethane 21.98
    ethylene carbonate 17.18
    cyrene 31.63
    2-ethoxyethyl acetate 33.55
    2-ethylhexyl acetate 7.24
    1,2,4-trichlorobenzene 13.49
    4-methylpyridine 13.67
    dibutyl ether 8.05
    2,6-dimethyl-4-heptanol 2.17
    DEF 19.51
    dimethyl isosorbide 44.86
    tetrachloroethylene 22.24
    eugenol 24.36
    triacetin 31.86
    span 80 24.58
    1,4-butanediol 2.83
    1,1-dichloroethane 8.05
    2-methyl-1-pentanol 5.63
    methyl formate 9.06
    2-methyl-1-butanol 4.86
    n-decane 0.78
    butyronitrile 3.42
    3,7-dimethyl-1-octanol 6.09
    1-chlorooctane 4.67
    1-chlorotetradecane 1.26
    n-nonane 0.62
    undecane 0.45
    tert-butylcyclohexane 0.55
    cyclooctane 0.4
    cyclopentanol 8.13
    tetrahydropyran 19.15
    tert-amyl methyl ether 7.28
    2,5,8-trioxanonane 42.33
    1-hexene 1.51
    2-isopropoxyethanol 12.88
    2,2,2-trifluoroethanol 10.51
    methyl butyrate 11.87

    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