Gamma-Patchoulene

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  • Identifiers

    CAS number
    508-55-4

    Molecular formula
    C15H24

    SMILES
    CC1CCC23C1CC(C2(C)C)CCC3=C

    Retention indicies (RI)

    • DB5: 1441.0
    • Carbowax: 1641.0

  • Odor profile

    Woody 87.03%
    Sweet 50.43%
    Dry 48.22%
    Amber 42.2%
    Cedar 41.16%
    Spicy 38.5%
    Camphoreous 38.18%
    Fresh 36.65%
    Balsamic 34.98%
    Pine 34.23%

    Scent© AI

  • Properties

    XLogP3-AA
    5.0

    Molecular weight
    204.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    270°C

    Flash point est.
    97.74 ˚C

  • Synonyms

    • .gamma.-Patchoulene
    • gamma-Patchoulene
    • 1H-3a,7-Methanoazulene, 2,3,4,5,6,7,8,8a.alpha.-octahydro-1.beta.,9,9-trimethyl-4-methylene-
    • 1H-3a,7-Methanoazulene, octahydro-1,9,9-trimethyl-4-methylene-, (1.alpha.,3a.alpha.,7.alpha.,8a.beta.)-
    • g-Patchoulene
    • 508-55-4
    • 1H-3a,7-Methanoazulene, 2,3,4,5,6,7,8,8aalpha-octahydro-1beta,9,9-trimethyl-4-methylene-
    • 1H-3a,7-Methanoazulene, octahydro-1,9,9-trimethyl-4-methylene-, (1alpha,3aalpha,7alpha,8abeta)-

  • Applications

    Gamma-Patchoulene (CAS 508-55-4) is a sesquiterpene hydrocarbon with the earthy-woody signature of patchouli oil, used mainly in fragrance applications to build warm base notes, enhance depth and diffusion, and contribute fixative effects in fine fragrances, soaps, detergents, shampoos, candles, and air-care; in analysis and quality control it serves as a reference/marker for GC-MS and GCxGC with retention-index calibration to profile patchouli oils, verify authenticity, and detect adulteration; in R&D it is employed as a model for sesquiterpene biosynthesis, as a hydrocarbon scaffold/precursor for derivatization toward novel odorants, and as an analyte in studies of biogenic volatile organic compound (BVOC) emissions, atmospheric oxidation mechanisms, and lab-scale antimicrobial/insect-repellent activity; operationally it is dosed at trace to low-percent levels due to high odor strength, is soluble in nonpolar solvents/oils and poorly soluble in water, and its use in cosmetics-fragrance should comply with IFRA, local safety regulations, and handling guidance for volatile materials.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 335.48
    methanol 347.8
    isopropanol 378.92
    water 2.33
    ethyl acetate 738.29
    n-propanol 379.39
    acetone 845.6
    n-butanol 389.2
    acetonitrile 631.87
    DMF 913.08
    toluene 986.84
    isobutanol 292.4
    1,4-dioxane 1555.49
    methyl acetate 585.84
    THF 2873.35
    2-butanone 618.5
    n-pentanol 173.77
    sec-butanol 241.11
    n-hexane 93.43
    ethylene glycol 67.04
    NMP 603.75
    cyclohexane 242.07
    DMSO 420.38
    n-butyl acetate 710.42
    n-octanol 198.6
    chloroform 1546.84
    n-propyl acetate 367.97
    acetic acid 204.67
    dichloromethane 1314.21
    cyclohexanone 1068.59
    propylene glycol 78.89
    isopropyl acetate 690.41
    DMAc 477.75
    2-ethoxyethanol 270.24
    isopentanol 355.08
    n-heptane 118.78
    ethyl formate 405.15
    1,2-dichloroethane 946.07
    n-hexanol 410.46
    2-methoxyethanol 556.07
    isobutyl acetate 339.13
    tetrachloromethane 459.2
    n-pentyl acetate 399.79
    transcutol 843.95
    n-heptanol 236.65
    ethylbenzene 357.33
    MIBK 577.16
    2-propoxyethanol 683.42
    tert-butanol 428.49
    MTBE 658.52
    2-butoxyethanol 392.86
    propionic acid 235.36
    o-xylene 464.77
    formic acid 68.52
    diethyl ether 838.47
    m-xylene 681.55
    p-xylene 428.76
    chlorobenzene 767.92
    dimethyl carbonate 403.35
    n-octane 55.52
    formamide 143.89
    cyclopentanone 1506.83
    2-pentanone 671.88
    anisole 596.21
    cyclopentyl methyl ether 1115.39
    gamma-butyrolactone 1323.19
    1-methoxy-2-propanol 539.69
    pyridine 1087.69
    3-pentanone 531.99
    furfural 896.11
    n-dodecane 36.29
    diethylene glycol 380.19
    diisopropyl ether 384.78
    tert-amyl alcohol 262.25
    acetylacetone 939.66
    n-hexadecane 43.9
    acetophenone 420.07
    methyl propionate 550.23
    isopentyl acetate 682.35
    trichloroethylene 1391.51
    n-nonanol 188.55
    cyclohexanol 402.06
    benzyl alcohol 300.86
    2-ethylhexanol 278.67
    isooctanol 210.09
    dipropyl ether 569.02
    1,2-dichlorobenzene 664.77
    ethyl lactate 178.82
    propylene carbonate 666.57
    n-methylformamide 416.38
    2-pentanol 273.68
    n-pentane 131.5
    1-propoxy-2-propanol 535.69
    1-methoxy-2-propyl acetate 780.81
    2-(2-methoxypropoxy) propanol 312.17
    mesitylene 476.05
    ε-caprolactone 814.96
    p-cymene 278.93
    epichlorohydrin 1370.97
    1,1,1-trichloroethane 1026.28
    2-aminoethanol 129.34
    morpholine-4-carbaldehyde 866.59
    sulfolane 976.48
    2,2,4-trimethylpentane 66.68
    2-methyltetrahydrofuran 1234.83
    n-hexyl acetate 453.96
    isooctane 91.58
    2-(2-butoxyethoxy)ethanol 417.76
    sec-butyl acetate 320.31
    tert-butyl acetate 762.09
    decalin 109.92
    glycerin 130.27
    diglyme 906.41
    acrylic acid 188.34
    isopropyl myristate 244.65
    n-butyric acid 451.55
    acetyl acetate 558.27
    di(2-ethylhexyl) phthalate 179.69
    ethyl propionate 409.15
    nitromethane 555.04
    1,2-diethoxyethane 591.01
    benzonitrile 571.47
    trioctyl phosphate 151.49
    1-bromopropane 640.78
    gamma-valerolactone 1437.14
    n-decanol 141.28
    triethyl phosphate 234.32
    4-methyl-2-pentanol 241.54
    propionitrile 673.48
    vinylene carbonate 622.94
    1,1,2-trichlorotrifluoroethane 480.7
    DMS 481.23
    cumene 245.87
    2-octanol 165.61
    2-hexanone 345.29
    octyl acetate 252.79
    limonene 335.41
    1,2-dimethoxyethane 763.35
    ethyl orthosilicate 239.66
    tributyl phosphate 180.98
    diacetone alcohol 492.21
    N,N-dimethylaniline 357.26
    acrylonitrile 684.77
    aniline 587.32
    1,3-propanediol 275.53
    bromobenzene 929.82
    dibromomethane 908.1
    1,1,2,2-tetrachloroethane 981.47
    2-methyl-cyclohexyl acetate 353.46
    tetrabutyl urea 209.68
    diisobutyl methanol 241.36
    2-phenylethanol 465.97
    styrene 414.57
    dioctyl adipate 260.2
    dimethyl sulfate 434.28
    ethyl butyrate 476.64
    methyl lactate 247.14
    butyl lactate 241.07
    diethyl carbonate 322.78
    propanediol butyl ether 234.46
    triethyl orthoformate 371.84
    p-tert-butyltoluene 304.69
    methyl 4-tert-butylbenzoate 451.72
    morpholine 1244.58
    tert-butylamine 339.27
    n-dodecanol 110.0
    dimethoxymethane 1073.37
    ethylene carbonate 620.33
    cyrene 265.21
    2-ethoxyethyl acetate 514.5
    2-ethylhexyl acetate 522.22
    1,2,4-trichlorobenzene 666.0
    4-methylpyridine 1062.89
    dibutyl ether 349.63
    2,6-dimethyl-4-heptanol 241.36
    DEF 550.58
    dimethyl isosorbide 689.06
    tetrachloroethylene 738.84
    eugenol 356.08
    triacetin 387.52
    span 80 266.21
    1,4-butanediol 83.22
    1,1-dichloroethane 958.03
    2-methyl-1-pentanol 168.42
    methyl formate 410.06
    2-methyl-1-butanol 270.63
    n-decane 64.7
    butyronitrile 673.56
    3,7-dimethyl-1-octanol 229.52
    1-chlorooctane 202.88
    1-chlorotetradecane 91.66
    n-nonane 62.54
    undecane 46.53
    tert-butylcyclohexane 105.38
    cyclooctane 126.23
    cyclopentanol 436.97
    tetrahydropyran 1391.49
    tert-amyl methyl ether 384.91
    2,5,8-trioxanonane 536.37
    1-hexene 214.04
    2-isopropoxyethanol 228.78
    2,2,2-trifluoroethanol 141.96
    methyl butyrate 435.82

    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

Botanical

Name CAS Botanical Proportion
Sequoia leaf 1 Sequoiadendron giganteum Buchh., fam. Taxodiaceae 0.01%
Marigold pot 1 70892-20-5 Calendula officinalis L. (Pot Marigold), fam. Asteraceae (Compositae) 0.08%
Lippia carviodora var. minor (Kenya) Lippia carviodora var. minor Meikle, fam. Verbenaceae 1.0%
Pinus sylvestris 3 8023-99-2 Pinus sylvestris L. (Scotch pine), fam. Pinaceae 0.2%
Pinus sylvestris 4 8023-99-2 Pinus sylvestris L. (Scotch pine), fam. Pinaceae 0.9%
Pinus sylvestris 6 8023-99-2 Pinus sylvestris L. (Scotch pine), fam. Pinaceae 0.09%
Myrtle leaf (Morocco) 4 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.3%
Myrtle leaf (Tunisia) 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.16%
Myrtle leaf (Yugoslavia) 1 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.16%
Myrtle leaf (Lebanon) 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.07%
Myrtle leaf (France) 1 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.23%
Neocinnamomum delavayi Neocinnamomum delavayi (L. Lec.) Liou, fam. Lauraceae 2.17%
Dendranthema vestitum flower absolute (China) Dendranthema vestitum (Hemsl.) Ling ex Shih, fam. Asteraceae (Compositae) 0.15%
Valeriana javanica root (Indonesia) Valeriana javanica Blume, fam. Valerianaceae 1.6%
Patchouli (Indonesia) 6 8014-09-3 Pogostemon cablin Benth., fam. Lamiaceae (Labiatae) 1.0%
Zanthoxylum syncarpum root (Brazil) Zanthoxylum syncarpum Tull, fam. Rutaceae 8.0%
Patchouli (Indonesia)5 ? Pogostemon cablin Benth., fam. Lamiaceae (Labiatae) 0.82%