2-Butanol, 4-(3,3a,4,6,7,7a-hexahydro-4,7-methano-5H-inden-5-ylidene)-

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  • Identifiers

    CAS number
    105304-56-1

    Molecular formula
    C14H20O

    SMILES
    CC(C/C=C/1\CC2CC1C3C2C=CC3)O

    Safety labels

  • Odor profile

    Fragrance
    Fruity 67.74%
    Floral 66.07%
    Woody 48.69%
    Sweet 48.1%
    Herbal 37.18%
    Green 32.97%
    Fresh 32.85%
    Balsamic 31.8%
    Tropical 27.81%
    Jasmin 27.55%

     

    Flavor
    Fruity 34.08%
    Herbal 28.99%
    Sweet 27.66%
    Bitter 26.1%
    Herb 25.73%
    Fruit 23.57%
    Wood 22.37%
    Alkaline 21.03%
    Terpentine 20.67%
    Woody 20.46%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    9.04 (weak base)

    Molecular weight
    204.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    316°C

    Flash point

    • 114.34 ˚C est.

  • Synonyms

    • 105304-56-1
    • 2-Butanol, 4-(3,3a,4,6,7,7a-hexahydro-4,7-methano-5H-inden-5-ylidene)-
    • (4E)-4-(8-tricyclo[5.2.1.02,6]dec-3-enylidene)butan-2-ol
    • 2-Butanol, 4-(3,3a,4,6,7,7a-hexahydro-4,7-methano-5H-indene-5-ylidene)-
    • IFKJJXOPGHPYCR-UXBLZVDNSA-N
    • DTXSID001364714
    • 105304-56-1

  • Applications

    2-Butanol, 4-(3,3a,4,6,7,7a-hexahydro-4,7-methano-5H-inden-5-ylidene)- (CAS 105304-56-1) is primarily regarded as an intermediate in chemical synthesis for fragrance-related compounds and specialty polymers. In perfumery and cosmetics, it may be used as a fragrance ingredient or fixative to help impart or stabilize aroma. In coatings and inks, it could serve as a fragrance component or a reactive intermediate for resin systems. In industrial manufacturing, it can function as a building block for specialty polymers or high-performance materials, subject to regulatory controls and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2059.24
    methanol 1905.95
    isopropanol 2256.56
    water 2.53
    ethyl acetate 2022.53
    n-propanol 1922.64
    acetone 3048.99
    n-butanol 1798.26
    acetonitrile 1613.32
    DMF 1277.12
    toluene 906.64
    isobutanol 1292.62
    1,4-dioxane 3539.88
    methyl acetate 1517.72
    THF 3437.2
    2-butanone 1786.97
    n-pentanol 648.92
    sec-butanol 1020.67
    n-hexane 71.67
    ethylene glycol 367.09
    NMP 328.8
    cyclohexane 198.5
    DMSO 1167.53
    n-butyl acetate 788.27
    n-octanol 228.49
    chloroform 2533.11
    n-propyl acetate 601.32
    acetic acid 696.42
    dichloromethane 1791.15
    cyclohexanone 1211.77
    propylene glycol 591.19
    isopropyl acetate 1210.63
    DMAc 681.07
    2-ethoxyethanol 1115.96
    isopentanol 1330.78
    n-heptane 60.57
    ethyl formate 792.45
    1,2-dichloroethane 1152.01
    n-hexanol 825.56
    2-methoxyethanol 2512.81
    isobutyl acetate 434.74
    tetrachloromethane 368.42
    n-pentyl acetate 334.41
    transcutol 4255.52
    n-heptanol 263.34
    ethylbenzene 220.33
    MIBK 897.92
    2-propoxyethanol 1680.5
    tert-butanol 1831.21
    MTBE 1952.44
    2-butoxyethanol 667.86
    propionic acid 732.03
    o-xylene 305.07
    formic acid 253.35
    diethyl ether 2634.53
    m-xylene 511.49
    p-xylene 252.11
    chlorobenzene 579.96
    dimethyl carbonate 547.79
    n-octane 26.1
    formamide 473.57
    cyclopentanone 1248.56
    2-pentanone 1674.88
    anisole 602.07
    cyclopentyl methyl ether 1159.78
    gamma-butyrolactone 1162.53
    1-methoxy-2-propanol 2065.0
    pyridine 1444.28
    3-pentanone 987.3
    furfural 835.26
    n-dodecane 22.09
    diethylene glycol 1226.1
    diisopropyl ether 621.61
    tert-amyl alcohol 724.96
    acetylacetone 1377.84
    n-hexadecane 25.85
    acetophenone 356.48
    methyl propionate 1208.28
    isopentyl acetate 720.13
    trichloroethylene 1685.58
    n-nonanol 202.63
    cyclohexanol 824.73
    benzyl alcohol 426.31
    2-ethylhexanol 319.27
    isooctanol 208.21
    dipropyl ether 645.83
    1,2-dichlorobenzene 394.1
    ethyl lactate 255.74
    propylene carbonate 612.98
    n-methylformamide 890.32
    2-pentanol 1001.73
    n-pentane 138.5
    1-propoxy-2-propanol 970.17
    1-methoxy-2-propyl acetate 983.46
    2-(2-methoxypropoxy) propanol 499.85
    mesitylene 288.41
    ε-caprolactone 865.75
    p-cymene 143.35
    epichlorohydrin 1692.39
    1,1,1-trichloroethane 1059.75
    2-aminoethanol 784.3
    morpholine-4-carbaldehyde 950.83
    sulfolane 647.0
    2,2,4-trimethylpentane 53.72
    2-methyltetrahydrofuran 1734.96
    n-hexyl acetate 474.9
    isooctane 74.36
    2-(2-butoxyethoxy)ethanol 875.98
    sec-butyl acetate 459.29
    tert-butyl acetate 957.97
    decalin 58.31
    glycerin 642.38
    diglyme 1703.84
    acrylic acid 490.97
    isopropyl myristate 182.9
    n-butyric acid 1240.46
    acetyl acetate 823.79
    di(2-ethylhexyl) phthalate 155.22
    ethyl propionate 531.28
    nitromethane 1296.3
    1,2-diethoxyethane 1456.79
    benzonitrile 530.19
    trioctyl phosphate 112.0
    1-bromopropane 898.41
    gamma-valerolactone 1650.62
    n-decanol 154.73
    triethyl phosphate 165.62
    4-methyl-2-pentanol 549.56
    propionitrile 1379.66
    vinylene carbonate 636.09
    1,1,2-trichlorotrifluoroethane 837.81
    DMS 417.54
    cumene 147.78
    2-octanol 157.97
    2-hexanone 535.69
    octyl acetate 207.03
    limonene 191.37
    1,2-dimethoxyethane 1660.06
    ethyl orthosilicate 178.76
    tributyl phosphate 144.62
    diacetone alcohol 814.63
    N,N-dimethylaniline 253.66
    acrylonitrile 1148.74
    aniline 870.3
    1,3-propanediol 1355.32
    bromobenzene 633.37
    dibromomethane 1182.7
    1,1,2,2-tetrachloroethane 1305.25
    2-methyl-cyclohexyl acetate 263.97
    tetrabutyl urea 156.81
    diisobutyl methanol 249.98
    2-phenylethanol 447.18
    styrene 291.72
    dioctyl adipate 211.11
    dimethyl sulfate 406.92
    ethyl butyrate 494.73
    methyl lactate 453.53
    butyl lactate 278.75
    diethyl carbonate 316.32
    propanediol butyl ether 548.77
    triethyl orthoformate 348.44
    p-tert-butyltoluene 156.54
    methyl 4-tert-butylbenzoate 289.86
    morpholine 3277.7
    tert-butylamine 1132.48
    n-dodecanol 123.6
    dimethoxymethane 2270.39
    ethylene carbonate 651.85
    cyrene 274.59
    2-ethoxyethyl acetate 685.25
    2-ethylhexyl acetate 455.49
    1,2,4-trichlorobenzene 448.38
    4-methylpyridine 1156.52
    dibutyl ether 422.88
    2,6-dimethyl-4-heptanol 249.98
    DEF 843.37
    dimethyl isosorbide 599.95
    tetrachloroethylene 849.37
    eugenol 308.64
    triacetin 436.89
    span 80 354.72
    1,4-butanediol 362.49
    1,1-dichloroethane 1544.79
    2-methyl-1-pentanol 459.62
    methyl formate 665.1
    2-methyl-1-butanol 937.21
    n-decane 37.84
    butyronitrile 1365.24
    3,7-dimethyl-1-octanol 281.34
    1-chlorooctane 145.0
    1-chlorotetradecane 62.26
    n-nonane 36.87
    undecane 27.95
    tert-butylcyclohexane 55.4
    cyclooctane 73.39
    cyclopentanol 745.4
    tetrahydropyran 2985.16
    tert-amyl methyl ether 697.82
    2,5,8-trioxanonane 913.0
    1-hexene 288.85
    2-isopropoxyethanol 740.92
    2,2,2-trifluoroethanol 273.07
    methyl butyrate 610.02

    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