14-Hydroxyisocaryophyllene

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  • Identifiers

    CAS number
    79768-25-5

    Molecular formula
    C15H24O

    SMILES
    CC1(C[C@H]2[C@H]1CC/C(=C\CCC2=C)/CO)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 79.16%
    Sweet 48.02%
    Amber 46.8%
    Dry 45.41%
    Cedar 39.31%
    Floral 37.93%
    Musk 37.07%
    Sandalwood 36.46%
    Balsamic 36.37%
    Spicy 36.28%

     

    Flavor
    Sweet 57.12%
    Woody 53.74%
    Spicy 44.92%
    Spice 40.23%
    Fruity 35.01%
    Herbal 34.06%
    Wood 32.92%
    Mint 32.3%
    Fresh 28.99%
    Herb 28.82%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    9.71 (weak base)

    Molecular weight
    220.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    333°C

    Flash point

    • 142.06 ˚C est.

  • Synonyms

    • 14-Hydroxyisocaryophyllene
    • 79768-25-5
    • 14-hydroxy-(Z)-caryophyllene
    • .beta.-Caryophyllene, 14-oxy
    • MGIQTXDHQJGPEZ-BARLUBHISA-N
    • AKOS026670056
    • 14-Hydroxy-cis-caryophyllene; [1R-(1R*,4E,9S*)]-11,11-Dimethyl-8-methylenebicyclo[7.2.0]undec-4-ene-4-methanol;(1R,4E,9S)-11,11-Dimethyl-8-methylenebicyclo[7.2.0]undec-4-ene-4-methanol;
    • 79768-25-5

  • Applications

    14-Hydroxyisocaryophyllene (CAS 79768-25-5) is a sesquiterpene alcohol with typical use in fragrance-related applications; in perfumery it serves as an odorant and can act as a fixative to extend aroma; in cosmetics and personal care it is commonly included as a fragrance ingredient or aroma booster in formulations; in flavor applications it may be evaluated for flavoring use within safety and regulatory limits; in industrial manufacturing it can serve as an intermediate for synthesizing other sesquiterpene derivatives; in household cleaning products it may appear as a fragrance component or fixative depending on formulation and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3013.7
    methanol 1864.58
    isopropanol 3106.01
    water 0.67
    ethyl acetate 2281.44
    n-propanol 3079.76
    acetone 2737.11
    n-butanol 2677.48
    acetonitrile 1796.63
    DMF 1954.13
    toluene 1335.71
    isobutanol 1955.2
    1,4-dioxane 2976.45
    methyl acetate 1618.0
    THF 5484.1
    2-butanone 2482.27
    n-pentanol 1003.88
    sec-butanol 1896.36
    n-hexane 119.48
    ethylene glycol 212.8
    NMP 638.2
    cyclohexane 269.52
    DMSO 1348.3
    n-butyl acetate 1378.25
    n-octanol 400.47
    chloroform 3036.11
    n-propyl acetate 1046.72
    acetic acid 734.83
    dichloromethane 2100.19
    cyclohexanone 1807.22
    propylene glycol 525.86
    isopropyl acetate 1482.4
    DMAc 871.97
    2-ethoxyethanol 1253.33
    isopentanol 1931.06
    n-heptane 88.68
    ethyl formate 1085.39
    1,2-dichloroethane 1552.47
    n-hexanol 1425.83
    2-methoxyethanol 2832.61
    isobutyl acetate 642.88
    tetrachloromethane 519.17
    n-pentyl acetate 662.19
    transcutol 4707.02
    n-heptanol 497.37
    ethylbenzene 408.36
    MIBK 1263.84
    2-propoxyethanol 2074.3
    tert-butanol 2689.08
    MTBE 3106.22
    2-butoxyethanol 972.84
    propionic acid 895.55
    o-xylene 472.69
    formic acid 208.93
    diethyl ether 3249.03
    m-xylene 804.77
    p-xylene 444.49
    chlorobenzene 986.83
    dimethyl carbonate 539.67
    n-octane 27.83
    formamide 504.53
    cyclopentanone 2361.47
    2-pentanone 2298.68
    anisole 881.72
    cyclopentyl methyl ether 2001.26
    gamma-butyrolactone 2071.24
    1-methoxy-2-propanol 2617.06
    pyridine 2138.22
    3-pentanone 1260.99
    furfural 1323.59
    n-dodecane 17.11
    diethylene glycol 950.52
    diisopropyl ether 793.33
    tert-amyl alcohol 1519.34
    acetylacetone 1414.84
    n-hexadecane 20.6
    acetophenone 560.24
    methyl propionate 1522.3
    isopentyl acetate 1174.38
    trichloroethylene 2473.56
    n-nonanol 331.43
    cyclohexanol 1265.5
    benzyl alcohol 603.96
    2-ethylhexanol 605.09
    isooctanol 409.38
    dipropyl ether 1002.07
    1,2-dichlorobenzene 689.23
    ethyl lactate 372.44
    propylene carbonate 976.37
    n-methylformamide 1454.09
    2-pentanol 1653.24
    n-pentane 228.65
    1-propoxy-2-propanol 1510.79
    1-methoxy-2-propyl acetate 1314.89
    2-(2-methoxypropoxy) propanol 600.59
    mesitylene 450.42
    ε-caprolactone 1405.81
    p-cymene 257.85
    epichlorohydrin 2728.23
    1,1,1-trichloroethane 1452.42
    2-aminoethanol 802.31
    morpholine-4-carbaldehyde 1213.15
    sulfolane 1146.97
    2,2,4-trimethylpentane 85.73
    2-methyltetrahydrofuran 2966.08
    n-hexyl acetate 806.01
    isooctane 120.01
    2-(2-butoxyethoxy)ethanol 1094.11
    sec-butyl acetate 731.62
    tert-butyl acetate 1356.63
    decalin 81.0
    glycerin 550.78
    diglyme 2012.14
    acrylic acid 532.99
    isopropyl myristate 237.19
    n-butyric acid 1910.71
    acetyl acetate 716.2
    di(2-ethylhexyl) phthalate 206.29
    ethyl propionate 859.68
    nitromethane 1355.6
    1,2-diethoxyethane 1683.33
    benzonitrile 856.23
    trioctyl phosphate 160.59
    1-bromopropane 1293.13
    gamma-valerolactone 2286.58
    n-decanol 225.0
    triethyl phosphate 232.24
    4-methyl-2-pentanol 923.77
    propionitrile 1940.27
    vinylene carbonate 899.06
    1,1,2-trichlorotrifluoroethane 1090.75
    DMS 485.7
    cumene 256.05
    2-octanol 304.98
    2-hexanone 943.16
    octyl acetate 289.29
    limonene 353.95
    1,2-dimethoxyethane 2055.8
    ethyl orthosilicate 251.14
    tributyl phosphate 208.1
    diacetone alcohol 1260.9
    N,N-dimethylaniline 429.71
    acrylonitrile 1625.07
    aniline 1282.26
    1,3-propanediol 1507.88
    bromobenzene 950.29
    dibromomethane 1530.29
    1,1,2,2-tetrachloroethane 1812.47
    2-methyl-cyclohexyl acetate 429.79
    tetrabutyl urea 223.59
    diisobutyl methanol 412.26
    2-phenylethanol 741.52
    styrene 500.75
    dioctyl adipate 276.7
    dimethyl sulfate 466.4
    ethyl butyrate 837.3
    methyl lactate 590.29
    butyl lactate 500.23
    diethyl carbonate 434.92
    propanediol butyl ether 783.67
    triethyl orthoformate 514.22
    p-tert-butyltoluene 274.6
    methyl 4-tert-butylbenzoate 455.33
    morpholine 3864.39
    tert-butylamine 1930.95
    n-dodecanol 153.42
    dimethoxymethane 2466.15
    ethylene carbonate 896.87
    cyrene 387.96
    2-ethoxyethyl acetate 966.64
    2-ethylhexyl acetate 798.59
    1,2,4-trichlorobenzene 755.28
    4-methylpyridine 2001.86
    dibutyl ether 582.84
    2,6-dimethyl-4-heptanol 412.26
    DEF 1241.2
    dimethyl isosorbide 836.51
    tetrachloroethylene 1056.56
    eugenol 426.92
    triacetin 569.37
    span 80 473.75
    1,4-butanediol 375.39
    1,1-dichloroethane 2069.85
    2-methyl-1-pentanol 750.46
    methyl formate 905.32
    2-methyl-1-butanol 1536.08
    n-decane 37.61
    butyronitrile 2267.34
    3,7-dimethyl-1-octanol 480.46
    1-chlorooctane 219.26
    1-chlorotetradecane 60.58
    n-nonane 37.28
    undecane 24.13
    tert-butylcyclohexane 85.09
    cyclooctane 91.04
    cyclopentanol 1302.79
    tetrahydropyran 3980.82
    tert-amyl methyl ether 1254.52
    2,5,8-trioxanonane 970.81
    1-hexene 541.07
    2-isopropoxyethanol 838.71
    2,2,2-trifluoroethanol 242.38
    methyl butyrate 1009.94

    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