Patchouli alcohol

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    5986-55-0

    Molecular formula
    C15H26O

    SMILES
    C[C@H]1CC[C@@]2([C@@]3([C@H]1C[C@H](C2(C)C)CC3)C)O

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Woody 72.74%
    Earthy 64.74%
    Camphoreous 58.97%
    Herbal 46.09%
    Pine 45.23%
    Green 41.43%
    Balsamic 41.31%
    Mint 39.55%
    Musty 38.51%
    Spicy 38.3%

    Scent© AI

  • Properties

    XLogP3-AA
    4.1

    Molecular weight
    222.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    306°C

    Flash point est.
    130.82 ˚C

  • Synonyms

    • Patchouli alcohol
    • 5986-55-0
    • Patchoulol
    • patchouli camphor
    • Patchoulic alcohol
    • patchoulanol
    • (-)-patchouli alcohol
    • (-)-patchoulol
    • HHH8CPR1M2
    • (1R,3R,6S,7S,8S)-2,2,6,8-tetramethyltricyclo[5.3.1.03,8]undecan-3-ol
    • EINECS 227-807-2
    • solid
    • (1r,4s,4as,6r,8as)-octahydro-4,8a,9,9-tetramethyl-1,6-methanonaphthalen-1(2h)-ol
    • 1,6-Methanonaphthalen-1(2H)-ol, octahydro-4,8a,9,9-tetramethyl-, (1R,4S,4aS,6R,8aS)-
    • PATCHOULI ALCOHOL [MI]
    • CHEBI:7940
    • (-)-(1R,3R,6S,7S,8S)-2,2,6,8-tetramethyltricyclo[5.3.1.0(3,8)]undecan-3-ol
    • (1R,4S,4aS,6R,8aS)-4,8a,9,9-tetramethyloctahydro-1,6-methanonaphthalen-1(2H)-ol
    • [1R-(1alpha,4beta,4aalpha,6beta,8aalpha)]-octahydro-4,8a,9,9-tetramethyl-1,6-methano-1(2H)-naphthol
    • 1,6-Methanonaphthalen-1.beta.(2H)-ol, 3,4,4a.beta.,5,6.beta.,7,8,8a-octahydro-4.alpha.,8a.beta.,9,9-tetramethyl-
    • Patchoulialkohol
    • 1,6-METHANONAPHTHALEN-1(2H)-OL, OCTAHYDRO-4,8A,9,9-TETRAMETHYL-, (1R-(1.ALPHA.,4.BETA.,4A.ALPHA.,6.BETA.,8A.ALPHA.))-
    • UNII-HHH8CPR1M2
    • crystallization
    • pacholol
    • patcholol
    • patschuli
    • white
    • Healingwood
    • healing wood
    • Patchoulol Crist
    • Patchouli alkohol
    • Patchouli-alcohol
    • (-)-(1R,3R,6S,7S,8S)-2,2,6,8-tetramethyltricyclo(5.3.1.0(3,8))undecan-3-ol
    • (1R,3R,6S,7S,8S)-2,2,6,8-tetramethyltricyclo(5.3.1.03,8)undecan-3-ol
    • Patchouli Alcohol?
    • (1R-(1alpha,4beta,4aalpha,6beta,8aalpha))-Octahydro-4,8a,9,9-tetramethyl-1,6-methano-1(2H)-naphthol
    • Patchouli Oil Terpeneless
    • Patchoulol;Patchouli camphor
    • Patchouli alcohol (Standard)
    • SCHEMBL108115
    • CHEMBL4588682
    • DTXSID9052266
    • HY-N0207R
    • octahydro-4,8a,9,9-tetramethyl-
    • 4alpha,8abeta,9,9-Tetramethyl-3,4,4abeta,5,6beta,7,8,8a-octahydro-1,6-\ methanonaphthalen-1beta(2H)-ol
    • HY-N0207
    • s3778
    • AKOS015840173
    • AKOS016011426
    • CCG-266740
    • FP09677
    • NCGC00482601-01
    • Octahydro-Tetramethyl-Methano-1-Naphthol
    • 1,6-Methanonaphthalen-1(2H)-ol, octahydro-4,8a,9,9-tetramethyl-, (1R-(1alpha,4beta,4aalpha,6beta,8aalpha))-
    • 1ST40057
    • AC-34015
    • CS-0008254
    • Q7144372
    • (1R,4S,4aS,6R,8aS)-4,8a,9,9-tetramethyloctahydro-1,6-methanonaphthalen-1(2H)-ol;patchoulol
    • (1R-(1a,4b,4aa,6b,8aa))-Octahydro-4,8a,9,9-tetramethyl-1,6-methano-1(2H)-naphthol 1,6-Methanonaphthalene-1(2H)-ol
    • [1R-1alpha,4beta,4a-alpha,6beta* 4,8a,9,9-Tetramethyloctahydro-1,6-methanonaphthalen-1(2H)-ol
    • 1,6-Methanonaphthalen-1beta(2H)-ol, 3,4,4abeta,5,6beta,7,8,8a-octahydro-4alpha,8abeta,9,9-tetramethyl-

  • Applications

    Patchouli alcohol (CAS 5986-55-0) is the principal sesquiterpenoid of patchouli oil, widely used as a fixative and long-lasting base note in fine fragrances (woody, amber/oriental, chypre, fougère), soaps, shampoos, detergents, candles, air-care and personal-care products; with low volatility and high substantivity it rounds blends, masks base odors, and extends scent longevity on skin and fabrics, aiding retention through wash/dry cycles; in cosmetics and aromatherapy it provides a warm, grounding scent, while the molecule has been studied in preclinical settings for antibacterial, antifungal, anti-inflammatory and antioxidant activities, informing its use in odor control and as a supportive component of preservative systems (not a medical claim); in analytical and quality control workflows, patchouli alcohol serves as a marker/standard to quantify and authenticate patchouli oil and to assess raw-material maturation by GC–MS or HPLC; it also functions as a plant-derived insect repellent (e.g., mosquitoes, ants, cockroaches, termites) in coils, sprays and treated materials, and is frequently microencapsulated for controlled fragrance release on textiles, paper and consumer goods; additionally, its chiral carbon skeleton is leveraged as a starting point for synthesizing derivatives in fragrance research and functional materials.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 126.5
    methanol 149.09
    isopropanol 106.94
    water 1.37
    ethyl acetate 111.2
    n-propanol 122.38
    acetone 150.71
    n-butanol 103.85
    acetonitrile 126.98
    DMF 237.92
    toluene 172.26
    isobutanol 75.52
    1,4-dioxane 359.48
    methyl acetate 106.61
    THF 707.76
    2-butanone 125.9
    n-pentanol 49.29
    sec-butanol 54.56
    n-hexane 12.53
    ethylene glycol 17.23
    NMP 157.97
    cyclohexane 30.73
    DMSO 106.58
    n-butyl acetate 142.23
    n-octanol 54.28
    chloroform 356.46
    n-propyl acetate 75.06
    acetic acid 58.35
    dichloromethane 275.52
    cyclohexanone 218.73
    propylene glycol 20.3
    isopropyl acetate 98.07
    DMAc 115.96
    2-ethoxyethanol 76.55
    isopentanol 73.83
    n-heptane 18.74
    ethyl formate 84.45
    1,2-dichloroethane 162.83
    n-hexanol 111.14
    2-methoxyethanol 152.34
    isobutyl acetate 64.99
    tetrachloromethane 94.08
    n-pentyl acetate 102.37
    transcutol 206.18
    n-heptanol 74.92
    ethylbenzene 71.93
    MIBK 95.56
    2-propoxyethanol 188.5
    tert-butanol 104.55
    MTBE 100.82
    2-butoxyethanol 117.72
    propionic acid 57.43
    o-xylene 95.51
    formic acid 28.78
    diethyl ether 142.01
    m-xylene 131.65
    p-xylene 97.47
    chlorobenzene 148.03
    dimethyl carbonate 61.33
    n-octane 8.94
    formamide 58.8
    cyclopentanone 314.38
    2-pentanone 115.75
    anisole 119.99
    cyclopentyl methyl ether 187.6
    gamma-butyrolactone 305.24
    1-methoxy-2-propanol 128.93
    pyridine 294.8
    3-pentanone 88.57
    furfural 232.6
    n-dodecane 6.02
    diethylene glycol 103.66
    diisopropyl ether 53.42
    tert-amyl alcohol 53.81
    acetylacetone 134.27
    n-hexadecane 7.16
    acetophenone 104.8
    methyl propionate 93.64
    isopentyl acetate 128.72
    trichloroethylene 278.65
    n-nonanol 54.28
    cyclohexanol 79.61
    benzyl alcohol 80.44
    2-ethylhexanol 65.95
    isooctanol 59.14
    dipropyl ether 103.83
    1,2-dichlorobenzene 134.57
    ethyl lactate 38.24
    propylene carbonate 129.81
    n-methylformamide 129.42
    2-pentanol 54.6
    n-pentane 17.61
    1-propoxy-2-propanol 138.7
    1-methoxy-2-propyl acetate 146.97
    2-(2-methoxypropoxy) propanol 83.16
    mesitylene 91.68
    ε-caprolactone 175.5
    p-cymene 66.88
    epichlorohydrin 285.25
    1,1,1-trichloroethane 164.03
    2-aminoethanol 46.2
    morpholine-4-carbaldehyde 219.38
    sulfolane 212.46
    2,2,4-trimethylpentane 9.47
    2-methyltetrahydrofuran 247.49
    n-hexyl acetate 112.17
    isooctane 12.33
    2-(2-butoxyethoxy)ethanol 110.17
    sec-butyl acetate 59.15
    tert-butyl acetate 112.49
    decalin 17.14
    glycerin 32.06
    diglyme 226.86
    acrylic acid 49.79
    isopropyl myristate 49.54
    n-butyric acid 100.79
    acetyl acetate 80.19
    di(2-ethylhexyl) phthalate 48.94
    ethyl propionate 72.02
    nitromethane 140.32
    1,2-diethoxyethane 126.76
    benzonitrile 145.92
    trioctyl phosphate 39.99
    1-bromopropane 110.12
    gamma-valerolactone 355.25
    n-decanol 38.5
    triethyl phosphate 48.46
    4-methyl-2-pentanol 46.03
    propionitrile 140.58
    vinylene carbonate 149.41
    1,1,2-trichlorotrifluoroethane 121.67
    DMS 93.85
    cumene 55.06
    2-octanol 45.78
    2-hexanone 77.78
    octyl acetate 55.76
    limonene 72.07
    1,2-dimethoxyethane 187.73
    ethyl orthosilicate 51.19
    tributyl phosphate 42.38
    diacetone alcohol 93.57
    N,N-dimethylaniline 84.44
    acrylonitrile 161.69
    aniline 124.83
    1,3-propanediol 81.23
    bromobenzene 167.86
    dibromomethane 188.15
    1,1,2,2-tetrachloroethane 188.83
    2-methyl-cyclohexyl acetate 86.28
    tetrabutyl urea 53.75
    diisobutyl methanol 53.11
    2-phenylethanol 122.35
    styrene 80.84
    dioctyl adipate 58.0
    dimethyl sulfate 76.09
    ethyl butyrate 91.37
    methyl lactate 44.78
    butyl lactate 72.62
    diethyl carbonate 61.03
    propanediol butyl ether 73.09
    triethyl orthoformate 78.23
    p-tert-butyltoluene 69.32
    methyl 4-tert-butylbenzoate 118.38
    morpholine 330.71
    tert-butylamine 77.8
    n-dodecanol 27.89
    dimethoxymethane 231.04
    ethylene carbonate 125.46
    cyrene 80.25
    2-ethoxyethyl acetate 131.99
    2-ethylhexyl acetate 103.49
    1,2,4-trichlorobenzene 146.45
    4-methylpyridine 237.98
    dibutyl ether 65.29
    2,6-dimethyl-4-heptanol 53.11
    DEF 101.09
    dimethyl isosorbide 172.11
    tetrachloroethylene 159.14
    eugenol 101.65
    triacetin 91.91
    span 80 74.9
    1,4-butanediol 24.26
    1,1-dichloroethane 153.03
    2-methyl-1-pentanol 40.16
    methyl formate 99.62
    2-methyl-1-butanol 55.96
    n-decane 11.93
    butyronitrile 143.62
    3,7-dimethyl-1-octanol 52.86
    1-chlorooctane 41.03
    1-chlorotetradecane 15.58
    n-nonane 10.42
    undecane 8.24
    tert-butylcyclohexane 16.95
    cyclooctane 14.47
    cyclopentanol 97.89
    tetrahydropyran 300.95
    tert-amyl methyl ether 60.31
    2,5,8-trioxanonane 137.43
    1-hexene 37.98
    2-isopropoxyethanol 58.6
    2,2,2-trifluoroethanol 37.65
    methyl butyrate 84.92

    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
Cyperus scariosus Cyperus scariosus R.Br., fam. Cupressaceae 2.2%