Patchoulane

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  • Identifiers

    CAS number
    19078-35-4

    Molecular formula
    C15H26

    SMILES
    CC1CCC23C1CC(C2(C)C)CCC3C

    Safety labels

  • Odor profile

    Fragrance
    Woody 82.42%
    Dry 48.16%
    Amber 42.65%
    Spicy 41.67%
    Fresh 40.92%
    Sweet 40.79%
    Herbal 40.32%
    Cedar 38.33%
    Balsamic 38.09%
    Pine 36.55%

     

    Flavor
    Sweet 60.43%
    Woody 59.86%
    Dry 42.55%
    Pine 41.09%
    Camphor 40.46%
    Earthy 34.84%
    Wood 34.24%
    Fir needle 31.11%
    Balsam 30.55%
    Medical 28.76%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.7

    pKa est.
    9.47 (weak base)

    Molecular weight
    206.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    264°C

    Flash point

    • 105.02 ˚C est.

  • Synonyms

    • Patchoulane
    • 19078-35-4
    • 1H-3a,7-Methanoazulene, octahydro-1,4,9,9-tetramethyl-
    • 25491-20-7
    • RefChem:170165
    • DTXCID10820079
    • DTXSID50858836
    • MVZZUMCHPFHUOS-UHFFFAOYSA-N
    • Patchulane
    • 4,10,11,11-Tetramethyltricyclo[5.3.1.01,5]undecane
    • OCTAHYDRO-1,4,9,9-TETRAMETHYL-1H-3A,7-METHANOAZULENE
    • SCHEMBL2513045
    • DTXSID20858828
    • CHEBI:167348
    • NS00096100
    • 1,4,9,9-tetramethyloctahydro-1H-3a,7-methanoazulene
    • 25491-20-7

  • Applications

    Patchoulane (CAS 19078-35-4) is primarily used as a fragrance ingredient with a patchouli-like odor in perfumery, often serving as an odorant or aroma component in fragrance formulations; it may also be employed in cosmetics/personal care products to impart scent. In industrial manufacturing of fragrance materials, it can be used as a raw material or intermediate for developing related aroma compounds. Additionally, it may be incorporated into coatings and inks to add fragrance to surfaces or packaging. These applications are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 333.18
    methanol 292.25
    isopropanol 322.84
    water 2.37
    ethyl acetate 752.81
    n-propanol 374.07
    acetone 835.32
    n-butanol 377.02
    acetonitrile 632.27
    DMF 854.96
    toluene 916.52
    isobutanol 290.97
    1,4-dioxane 1548.73
    methyl acetate 600.6
    THF 2778.32
    2-butanone 643.12
    n-pentanol 181.5
    sec-butanol 225.98
    n-hexane 156.41
    ethylene glycol 60.91
    NMP 632.93
    cyclohexane 374.22
    DMSO 413.59
    n-butyl acetate 859.29
    n-octanol 231.59
    chloroform 1449.96
    n-propyl acetate 407.15
    acetic acid 184.92
    dichloromethane 1320.15
    cyclohexanone 1172.55
    propylene glycol 71.13
    isopropyl acetate 680.63
    DMAc 456.4
    2-ethoxyethanol 268.49
    isopentanol 332.58
    n-heptane 199.54
    ethyl formate 411.22
    1,2-dichloroethane 1006.72
    n-hexanol 454.18
    2-methoxyethanol 506.12
    isobutyl acetate 373.55
    tetrachloromethane 504.08
    n-pentyl acetate 451.32
    transcutol 759.71
    n-heptanol 264.77
    ethylbenzene 382.16
    MIBK 564.51
    2-propoxyethanol 692.68
    tert-butanol 371.54
    MTBE 670.38
    2-butoxyethanol 394.71
    propionic acid 237.87
    o-xylene 475.3
    formic acid 60.04
    diethyl ether 903.64
    m-xylene 676.14
    p-xylene 463.18
    chlorobenzene 787.67
    dimethyl carbonate 369.51
    n-octane 94.84
    formamide 128.21
    cyclopentanone 1542.22
    2-pentanone 681.1
    anisole 562.13
    cyclopentyl methyl ether 1163.83
    gamma-butyrolactone 1398.09
    1-methoxy-2-propanol 471.63
    pyridine 1064.92
    3-pentanone 567.93
    furfural 856.08
    n-dodecane 58.35
    diethylene glycol 349.37
    diisopropyl ether 449.8
    tert-amyl alcohol 246.15
    acetylacetone 860.34
    n-hexadecane 70.97
    acetophenone 406.08
    methyl propionate 549.56
    isopentyl acetate 762.54
    trichloroethylene 1340.64
    n-nonanol 217.96
    cyclohexanol 431.1
    benzyl alcohol 273.76
    2-ethylhexanol 336.84
    isooctanol 233.09
    dipropyl ether 733.44
    1,2-dichlorobenzene 676.68
    ethyl lactate 176.63
    propylene carbonate 670.34
    n-methylformamide 401.48
    2-pentanol 258.57
    n-pentane 199.16
    1-propoxy-2-propanol 548.41
    1-methoxy-2-propyl acetate 795.8
    2-(2-methoxypropoxy) propanol 304.93
    mesitylene 505.22
    ε-caprolactone 864.03
    p-cymene 324.46
    epichlorohydrin 1371.46
    1,1,1-trichloroethane 1044.46
    2-aminoethanol 123.86
    morpholine-4-carbaldehyde 821.46
    sulfolane 1023.16
    2,2,4-trimethylpentane 94.48
    2-methyltetrahydrofuran 1323.66
    n-hexyl acetate 517.51
    isooctane 122.39
    2-(2-butoxyethoxy)ethanol 400.14
    sec-butyl acetate 343.58
    tert-butyl acetate 749.42
    decalin 158.2
    glycerin 111.55
    diglyme 889.07
    acrylic acid 183.49
    isopropyl myristate 275.9
    n-butyric acid 429.88
    acetyl acetate 545.79
    di(2-ethylhexyl) phthalate 184.19
    ethyl propionate 434.75
    nitromethane 529.84
    1,2-diethoxyethane 664.58
    benzonitrile 543.72
    trioctyl phosphate 169.18
    1-bromopropane 725.98
    gamma-valerolactone 1439.15
    n-decanol 163.32
    triethyl phosphate 266.01
    4-methyl-2-pentanol 231.27
    propionitrile 684.74
    vinylene carbonate 625.25
    1,1,2-trichlorotrifluoroethane 455.39
    DMS 488.22
    cumene 270.85
    2-octanol 184.77
    2-hexanone 387.74
    octyl acetate 284.09
    limonene 417.51
    1,2-dimethoxyethane 753.39
    ethyl orthosilicate 278.62
    tributyl phosphate 197.76
    diacetone alcohol 430.67
    N,N-dimethylaniline 358.75
    acrylonitrile 680.66
    aniline 567.62
    1,3-propanediol 242.87
    bromobenzene 972.68
    dibromomethane 967.47
    1,1,2,2-tetrachloroethane 961.34
    2-methyl-cyclohexyl acetate 410.62
    tetrabutyl urea 227.18
    diisobutyl methanol 271.99
    2-phenylethanol 448.1
    styrene 440.79
    dioctyl adipate 284.66
    dimethyl sulfate 426.1
    ethyl butyrate 564.49
    methyl lactate 225.97
    butyl lactate 253.06
    diethyl carbonate 360.77
    propanediol butyl ether 216.65
    triethyl orthoformate 427.08
    p-tert-butyltoluene 352.23
    methyl 4-tert-butylbenzoate 454.19
    morpholine 1213.83
    tert-butylamine 329.89
    n-dodecanol 131.72
    dimethoxymethane 991.26
    ethylene carbonate 618.02
    cyrene 253.35
    2-ethoxyethyl acetate 536.81
    2-ethylhexyl acetate 640.04
    1,2,4-trichlorobenzene 656.72
    4-methylpyridine 1025.07
    dibutyl ether 444.68
    2,6-dimethyl-4-heptanol 271.99
    DEF 568.87
    dimethyl isosorbide 685.89
    tetrachloroethylene 751.77
    eugenol 338.37
    triacetin 395.47
    span 80 267.89
    1,4-butanediol 80.96
    1,1-dichloroethane 938.79
    2-methyl-1-pentanol 171.82
    methyl formate 394.23
    2-methyl-1-butanol 270.59
    n-decane 106.13
    butyronitrile 682.7
    3,7-dimethyl-1-octanol 246.99
    1-chlorooctane 276.27
    1-chlorotetradecane 123.25
    n-nonane 105.38
    undecane 76.28
    tert-butylcyclohexane 143.82
    cyclooctane 202.78
    cyclopentanol 447.26
    tetrahydropyran 1486.75
    tert-amyl methyl ether 425.12
    2,5,8-trioxanonane 517.51
    1-hexene 293.37
    2-isopropoxyethanol 227.95
    2,2,2-trifluoroethanol 134.42
    methyl butyrate 465.54

    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