Volemolide

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  • Identifiers

    CAS number
    125974-96-1

    Molecular formula
    C22H34O3

    SMILES
    C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@]3(C2=CC(=O)O3)OC)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 80.58%
    Amber 41.52%
    Sandalwood 41.15%
    Dry 37.58%
    Spicy 35.26%
    Vetiver 35.26%
    Cedar 34.37%
    Balsamic 34.1%
    Herbal 32.72%
    Oily 27.94%

     

    Flavor
    Woody 36.57%
    Herbal 31.83%
    Wood 27.12%
    Spice 27.03%
    Bitter 25.0%
    Herb 23.7%
    Cedarleaf 21.19%
    Terpentine 20.3%
    Sandalwood 19.83%
    Low 19.64%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.1

    pKa est.
    5.64 (weak acid)

    Molecular weight
    346.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    424°C

    Flash point

    • 226.49 ˚C est.

  • Synonyms

    • Volemolide
    • 125974-96-1
    • 17R-Methylincisterol
    • (3aS,5aR,6R,8aR)-6-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-3a-methoxy-5a-methyl-4,5,6,7,8,8a-hexahydrocyclopenta[e][1]benzofuran-2-one
    • (3aS,5aR,6R,8aR)-6-((E,2R,5R)-5,6-dimethylhept-3-en-2-yl)-3a-methoxy-5a-methyl-4,5,6,7,8,8a-hexahydrocyclopenta(e)(1)benzofuran-2-one
    • RefChem:194616
    • (17R)-17-methylincisterol
    • CHEMBL3593355
    • CHEBI:69430
    • DTXSID001318454
    • Q27137774
    • (3aS,5aR,6R,8aR)-6-[(2R,3E,5R)-5,6-Dimethylhept-3-en-2-yl]-3a-methoxy-5a-methyl-3a,4,5,5a,6,7,8,8a-octahydro-2H-indeno[5,4-b]furan-2-one
    • 125974-96-1

  • Applications

    Volemolide (CAS 125974-96-1) is primarily considered an organic synthesis intermediate and may be used to prepare pharmaceutical and agrochemical building blocks; it can function as a solvent or processing aid in specialty coatings and polymer formulations; it may act as a stabilizer or compatibility additive in plastics and coating systems; in perfumery or flavor contexts it may be evaluated as an odorant or fixative component; and it can appear as a formulation ingredient in cosmetics and personal care products, subject to applicable regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 57.0
    methanol 23.66
    isopropanol 62.16
    water 0.07
    ethyl acetate 190.68
    n-propanol 87.19
    acetone 126.67
    n-butanol 104.5
    acetonitrile 52.69
    DMF 156.54
    toluene 308.43
    isobutanol 82.62
    1,4-dioxane 306.28
    methyl acetate 120.1
    THF 501.59
    2-butanone 180.18
    n-pentanol 84.45
    sec-butanol 67.38
    n-hexane 8.2
    ethylene glycol 4.03
    NMP 246.22
    cyclohexane 31.91
    DMSO 72.38
    n-butyl acetate 171.62
    n-octanol 38.5
    chloroform 630.24
    n-propyl acetate 140.43
    acetic acid 66.65
    dichloromethane 417.15
    cyclohexanone 326.27
    propylene glycol 9.44
    isopropyl acetate 188.47
    DMAc 277.15
    2-ethoxyethanol 104.53
    isopentanol 113.26
    n-heptane 5.83
    ethyl formate 57.28
    1,2-dichloroethane 257.1
    n-hexanol 101.39
    2-methoxyethanol 100.67
    isobutyl acetate 133.47
    tetrachloromethane 65.89
    n-pentyl acetate 133.7
    transcutol 316.94
    n-heptanol 56.46
    ethylbenzene 104.17
    MIBK 154.69
    2-propoxyethanol 197.1
    tert-butanol 61.67
    MTBE 116.07
    2-butoxyethanol 130.47
    propionic acid 56.1
    o-xylene 136.42
    formic acid 13.96
    diethyl ether 157.04
    m-xylene 177.62
    p-xylene 142.25
    chlorobenzene 247.17
    dimethyl carbonate 71.2
    n-octane 2.68
    formamide 24.04
    cyclopentanone 318.68
    2-pentanone 186.99
    anisole 167.48
    cyclopentyl methyl ether 246.7
    gamma-butyrolactone 265.18
    1-methoxy-2-propanol 120.14
    pyridine 311.49
    3-pentanone 159.65
    furfural 200.6
    n-dodecane 3.14
    diethylene glycol 81.7
    diisopropyl ether 61.89
    tert-amyl alcohol 64.35
    acetylacetone 201.44
    n-hexadecane 3.87
    acetophenone 167.17
    methyl propionate 143.07
    isopentyl acetate 194.86
    trichloroethylene 506.78
    n-nonanol 43.86
    cyclohexanol 120.78
    benzyl alcohol 122.11
    2-ethylhexanol 67.37
    isooctanol 52.36
    dipropyl ether 64.11
    1,2-dichlorobenzene 213.82
    ethyl lactate 64.99
    propylene carbonate 160.66
    n-methylformamide 47.2
    2-pentanol 76.11
    n-pentane 10.53
    1-propoxy-2-propanol 130.18
    1-methoxy-2-propyl acetate 217.06
    2-(2-methoxypropoxy) propanol 120.4
    mesitylene 96.93
    ε-caprolactone 299.91
    p-cymene 57.55
    epichlorohydrin 358.48
    1,1,1-trichloroethane 242.1
    2-aminoethanol 18.0
    morpholine-4-carbaldehyde 270.1
    sulfolane 212.73
    2,2,4-trimethylpentane 9.19
    2-methyltetrahydrofuran 340.57
    n-hexyl acetate 144.17
    isooctane 7.54
    2-(2-butoxyethoxy)ethanol 142.93
    sec-butyl acetate 140.37
    tert-butyl acetate 167.38
    decalin 18.12
    glycerin 18.65
    diglyme 263.02
    acrylic acid 42.47
    isopropyl myristate 61.09
    n-butyric acid 131.4
    acetyl acetate 146.31
    di(2-ethylhexyl) phthalate 78.03
    ethyl propionate 128.44
    nitromethane 92.07
    1,2-diethoxyethane 141.87
    benzonitrile 151.86
    trioctyl phosphate 49.9
    1-bromopropane 177.75
    gamma-valerolactone 412.21
    n-decanol 31.68
    triethyl phosphate 71.48
    4-methyl-2-pentanol 65.02
    propionitrile 91.82
    vinylene carbonate 157.8
    1,1,2-trichlorotrifluoroethane 164.62
    DMS 137.22
    cumene 69.47
    2-octanol 34.97
    2-hexanone 137.29
    octyl acetate 75.51
    limonene 65.91
    1,2-dimethoxyethane 173.59
    ethyl orthosilicate 72.61
    tributyl phosphate 57.42
    diacetone alcohol 129.49
    N,N-dimethylaniline 111.72
    acrylonitrile 87.29
    aniline 185.77
    1,3-propanediol 49.9
    bromobenzene 294.78
    dibromomethane 291.46
    1,1,2,2-tetrachloroethane 398.9
    2-methyl-cyclohexyl acetate 128.61
    tetrabutyl urea 75.19
    diisobutyl methanol 42.74
    2-phenylethanol 154.05
    styrene 125.41
    dioctyl adipate 95.09
    dimethyl sulfate 89.98
    ethyl butyrate 115.99
    methyl lactate 58.27
    butyl lactate 92.37
    diethyl carbonate 84.22
    propanediol butyl ether 74.23
    triethyl orthoformate 95.75
    p-tert-butyltoluene 52.43
    methyl 4-tert-butylbenzoate 140.74
    morpholine 334.84
    tert-butylamine 44.66
    n-dodecanol 23.84
    dimethoxymethane 171.31
    ethylene carbonate 148.28
    cyrene 136.22
    2-ethoxyethyl acetate 194.43
    2-ethylhexyl acetate 166.47
    1,2,4-trichlorobenzene 247.05
    4-methylpyridine 342.31
    dibutyl ether 50.61
    2,6-dimethyl-4-heptanol 42.74
    DEF 188.93
    dimethyl isosorbide 219.53
    tetrachloroethylene 236.82
    eugenol 136.32
    triacetin 151.42
    span 80 98.73
    1,4-butanediol 23.38
    1,1-dichloroethane 244.43
    2-methyl-1-pentanol 97.82
    methyl formate 34.4
    2-methyl-1-butanol 103.57
    n-decane 5.25
    butyronitrile 101.74
    3,7-dimethyl-1-octanol 52.49
    1-chlorooctane 31.82
    1-chlorotetradecane 14.36
    n-nonane 3.83
    undecane 3.88
    tert-butylcyclohexane 12.92
    cyclooctane 10.25
    cyclopentanol 100.33
    tetrahydropyran 361.12
    tert-amyl methyl ether 98.88
    2,5,8-trioxanonane 172.47
    1-hexene 42.11
    2-isopropoxyethanol 104.39
    2,2,2-trifluoroethanol 30.89
    methyl butyrate 142.01

    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