(3S,3aS,6S,7S,7aS)-6-Ethenylhexahydro-3,6-dimethyl-7-(1-methylethenyl)-2(3H)-benzofuranone

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  • Identifiers

    CAS number
    23527-07-3

    Molecular formula
    C15H22O2

    SMILES
    C[C@H]1[C@@H]2CC[C@@]([C@@H]([C@H]2OC1=O)C(=C)C)(C)C=C

    Safety labels

  • Odor profile

    Fragrance
    Woody 57.33%
    Spicy 50.42%
    Sweet 43.99%
    Mint 43.12%
    Herbal 40.61%
    Green 36.96%
    Fresh 36.15%
    Citrus 35.54%
    Fruity 34.04%
    Tobacco 26.97%

     

    Flavor
    Minty 42.04%
    Bitter 40.72%
    Herbal 33.7%
    Fresh 30.46%
    Spice 26.01%
    Mint 24.22%
    Spearmint 22.99%
    Cedarleaf 21.76%
    Basil 21.7%
    Herb 20.92%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.4

    pKa est.
    8.2 (weak base)

    Molecular weight
    234.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    339°C

    Flash point

    • 137.84 ˚C est.

  • Synonyms

    • (3S,3aS,6S,7S,7aS)-6-Ethenylhexahydro-3,6-dimethyl-7-(1-methylethenyl)-2(3H)-benzofuranone
    • 23527-07-3
    • RefChem:208327
    • SCHEMBL4998367
    • DTXSID401121946
    • (3S,3aS,6S,7S,7aS)-6-Ethenyl-3,6-dimethyl-7-(prop-1-en-2-yl)hexahydro-1-benzofuran-2(3H)-one
    • 23527-07-3

  • Applications

    Chemical name: (3S,3aS,6S,7S,7aS)-6-Ethenylhexahydro-3,6-dimethyl-7-(1-methylethenyl)-2(3H)-benzofuranone; CAS 23527-07-3. In perfumery, it is used as an odorant and fragrance component, with potential use as a fixative in complex blends. In cosmetics and personal care formulations, it may function as a fragrance ingredient. In household products, it can contribute scent profiles in cleaners and detergents. In industrial manufacturing, it is sometimes used as an intermediate in fragrance chemistry and aroma compound syntheses. In coatings and inks, it may be formulated as a fragrance additive to impart aroma without compromising product performance.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 460.18
    methanol 650.94
    isopropanol 742.24
    water 2.58
    ethyl acetate 422.23
    n-propanol 541.0
    acetone 493.63
    n-butanol 502.83
    acetonitrile 471.11
    DMF 792.81
    toluene 583.59
    isobutanol 506.63
    1,4-dioxane 1068.9
    methyl acetate 444.58
    THF 1505.76
    2-butanone 524.74
    n-pentanol 258.16
    sec-butanol 515.92
    n-hexane 14.53
    ethylene glycol 95.44
    NMP 541.25
    cyclohexane 64.13
    DMSO 324.48
    n-butyl acetate 301.27
    n-octanol 165.11
    chloroform 1752.86
    n-propyl acetate 217.87
    acetic acid 291.12
    dichloromethane 1252.41
    cyclohexanone 784.72
    propylene glycol 171.98
    isopropyl acetate 342.51
    DMAc 463.27
    2-ethoxyethanol 275.73
    isopentanol 471.19
    n-heptane 14.31
    ethyl formate 307.5
    1,2-dichloroethane 611.54
    n-hexanol 391.37
    2-methoxyethanol 595.4
    isobutyl acetate 182.0
    tetrachloromethane 226.26
    n-pentyl acetate 234.3
    transcutol 959.78
    n-heptanol 174.16
    ethylbenzene 195.24
    MIBK 308.51
    2-propoxyethanol 517.13
    tert-butanol 660.96
    MTBE 402.12
    2-butoxyethanol 278.32
    propionic acid 291.59
    o-xylene 279.23
    formic acid 128.9
    diethyl ether 342.15
    m-xylene 386.9
    p-xylene 272.87
    chlorobenzene 559.13
    dimethyl carbonate 196.32
    n-octane 9.3
    formamide 203.25
    cyclopentanone 871.99
    2-pentanone 409.74
    anisole 332.03
    cyclopentyl methyl ether 516.86
    gamma-butyrolactone 850.0
    1-methoxy-2-propanol 555.77
    pyridine 850.55
    3-pentanone 290.79
    furfural 644.23
    n-dodecane 11.38
    diethylene glycol 396.68
    diisopropyl ether 124.93
    tert-amyl alcohol 417.96
    acetylacetone 413.12
    n-hexadecane 13.51
    acetophenone 293.08
    methyl propionate 327.63
    isopentyl acetate 323.0
    trichloroethylene 1174.91
    n-nonanol 142.62
    cyclohexanol 540.77
    benzyl alcohol 304.49
    2-ethylhexanol 177.88
    isooctanol 148.26
    dipropyl ether 127.32
    1,2-dichlorobenzene 443.3
    ethyl lactate 135.3
    propylene carbonate 479.31
    n-methylformamide 387.33
    2-pentanol 372.92
    n-pentane 28.19
    1-propoxy-2-propanol 353.22
    1-methoxy-2-propyl acetate 355.35
    2-(2-methoxypropoxy) propanol 277.26
    mesitylene 216.74
    ε-caprolactone 591.28
    p-cymene 119.47
    epichlorohydrin 956.91
    1,1,1-trichloroethane 636.29
    2-aminoethanol 217.25
    morpholine-4-carbaldehyde 685.9
    sulfolane 585.08
    2,2,4-trimethylpentane 23.56
    2-methyltetrahydrofuran 833.69
    n-hexyl acetate 331.13
    isooctane 22.73
    2-(2-butoxyethoxy)ethanol 369.65
    sec-butyl acetate 185.81
    tert-butyl acetate 317.75
    decalin 32.68
    glycerin 217.1
    diglyme 578.05
    acrylic acid 246.22
    isopropyl myristate 128.38
    n-butyric acid 448.3
    acetyl acetate 280.97
    di(2-ethylhexyl) phthalate 153.96
    ethyl propionate 199.34
    nitromethane 450.26
    1,2-diethoxyethane 311.17
    benzonitrile 500.61
    trioctyl phosphate 104.42
    1-bromopropane 395.13
    gamma-valerolactone 856.93
    n-decanol 106.68
    triethyl phosphate 103.25
    4-methyl-2-pentanol 248.25
    propionitrile 472.9
    vinylene carbonate 495.47
    1,1,2-trichlorotrifluoroethane 436.67
    DMS 269.15
    cumene 133.43
    2-octanol 133.85
    2-hexanone 235.06
    octyl acetate 157.21
    limonene 144.66
    1,2-dimethoxyethane 455.47
    ethyl orthosilicate 101.99
    tributyl phosphate 121.13
    diacetone alcohol 341.2
    N,N-dimethylaniline 209.69
    acrylonitrile 522.05
    aniline 528.06
    1,3-propanediol 373.12
    bromobenzene 588.31
    dibromomethane 808.79
    1,1,2,2-tetrachloroethane 905.16
    2-methyl-cyclohexyl acetate 195.36
    tetrabutyl urea 144.69
    diisobutyl methanol 110.39
    2-phenylethanol 358.71
    styrene 223.34
    dioctyl adipate 165.78
    dimethyl sulfate 239.25
    ethyl butyrate 187.05
    methyl lactate 208.12
    butyl lactate 198.39
    diethyl carbonate 144.81
    propanediol butyl ether 282.53
    triethyl orthoformate 147.46
    p-tert-butyltoluene 117.11
    methyl 4-tert-butylbenzoate 262.93
    morpholine 1079.36
    tert-butylamine 389.62
    n-dodecanol 80.94
    dimethoxymethane 563.7
    ethylene carbonate 431.49
    cyrene 254.46
    2-ethoxyethyl acetate 307.34
    2-ethylhexyl acetate 244.36
    1,2,4-trichlorobenzene 481.65
    4-methylpyridine 835.62
    dibutyl ether 133.81
    2,6-dimethyl-4-heptanol 110.39
    DEF 360.34
    dimethyl isosorbide 445.86
    tetrachloroethylene 550.28
    eugenol 266.34
    triacetin 268.22
    span 80 242.88
    1,4-butanediol 140.26
    1,1-dichloroethane 780.22
    2-methyl-1-pentanol 254.51
    methyl formate 327.77
    2-methyl-1-butanol 408.88
    n-decane 18.28
    butyronitrile 481.47
    3,7-dimethyl-1-octanol 178.21
    1-chlorooctane 96.02
    1-chlorotetradecane 41.44
    n-nonane 15.13
    undecane 14.18
    tert-butylcyclohexane 27.08
    cyclooctane 20.49
    cyclopentanol 581.56
    tetrahydropyran 958.33
    tert-amyl methyl ether 238.04
    2,5,8-trioxanonane 375.12
    1-hexene 81.67
    2-isopropoxyethanol 222.0
    2,2,2-trifluoroethanol 153.83
    methyl butyrate 246.52

    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