alpha-Caryophyllene alcohol

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  • Identifiers

    CAS number
    4586-22-5

    Molecular formula
    C15H26O

    SMILES
    CC1(CC2C(C1)C3(CCCC2(C3O)C)C)C

    Retention indicies (RI)

    • DB5: 1570.0
    • Carbowax: 2091.75

  • Odor profile

    Fragrance
    Woody 86.34%
    Earthy 56.11%
    Spicy 53.07%
    Amber 48.63%
    Dry 47.22%
    Camphoreous 44.47%
    Cedar 43.13%
    Herbal 42.25%
    Balsamic 42.16%
    Pine 37.1%

     

    Flavor
    Woody 70.83%
    Earthy 58.48%
    Camphor 53.33%
    Sweet 50.43%
    Spicy 50.03%
    Pine 47.35%
    Earth 44.19%
    Dry 40.73%
    Herbal 39.98%
    Balsam 38.87%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.3

    pKa est.
    8.34 (weak base)

    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

    • 130.26 ˚C est.

  • Synonyms

    • alpha-Caryophyllene alcohol
    • 4586-22-5
    • Caryophyllenolexcloveleafoil
    • 4,8-Methanoazulen-9-ol, decahydro-2,2,4,8-tetramethyl-, stereoisomer
    • .alpha.-Caryophyllene alcohol
    • DTXSID0063529
    • 4,8-Methanoazulen-9-ol, 1,2,3,3a.alpha.,4,5,6,7,8,8a.alpha.-decahydro-2,2,4.beta.,8.beta.-tetramethyl-
    • 1,4,4,7-tetramethyltricyclo[5.3.1.02,6]undecan-11-ol
    • 1,4,4,7-tetramethyltricyclo[5.3.1.0^{2,6}]undecan-11-ol
    • 1,4,4,7-tetramethyltricyclo(5.3.1.02,6)undecan-11-ol
    • 1,4,4,7-tetramethyltricyclo(5.3.1.0^(2,6))undecan-11-ol
    • Decahydro-2,2,4,8-tetramethyl-4,8-methanoazulen-9-ol, stereoisomer
    • 1,2,3,3aalpha,4,5,6,7,8,8aalpha-Decahydro-2,2,4beta,8beta-tetramethyl-4,8-methanoazulen-9-ol
    • 4,8-Methanoazulen-9-ol, 1,2,3,3aalpha,4,5,6,7,8,8aalpha-decahydro-2,2,4beta,8beta-tetramethyl-
    • SCHEMBL1245130
    • DTXCID7040449
    • NS00128658
    • Q67879663

  • Applications

    alpha-Caryophyllene alcohol (CAS 4586-22-5) is a sesquiterpene alcohol used as a fragrance ingredient in perfumery and as a fixative in fragrance formulations. In cosmetics and personal care, it may serve as a fragrance component. In the food processing sector, it may be used as a flavor/aroma ingredient. It also serves as an intermediate or starting material for the synthesis of other fragrance compounds and specialty chemicals in industrial fragrance chemistry. Use is subject to local regulations and formulation limits.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 284.1
    methanol 208.49
    isopropanol 460.27
    water 2.97
    ethyl acetate 464.87
    n-propanol 329.3
    acetone 728.72
    n-butanol 333.68
    acetonitrile 477.88
    DMF 837.3
    toluene 482.54
    isobutanol 299.97
    1,4-dioxane 929.01
    methyl acetate 447.66
    THF 2036.73
    2-butanone 538.17
    n-pentanol 156.31
    sec-butanol 271.63
    n-hexane 39.34
    ethylene glycol 63.86
    NMP 539.47
    cyclohexane 97.18
    DMSO 368.47
    n-butyl acetate 451.63
    n-octanol 199.85
    chloroform 1129.85
    n-propyl acetate 274.98
    acetic acid 200.77
    dichloromethane 815.67
    cyclohexanone 755.91
    propylene glycol 115.95
    isopropyl acetate 456.95
    DMAc 484.08
    2-ethoxyethanol 234.83
    isopentanol 296.82
    n-heptane 64.21
    ethyl formate 336.6
    1,2-dichloroethane 494.5
    n-hexanol 314.22
    2-methoxyethanol 447.74
    isobutyl acetate 258.78
    tetrachloromethane 279.37
    n-pentyl acetate 325.98
    transcutol 529.34
    n-heptanol 207.36
    ethylbenzene 235.15
    MIBK 405.26
    2-propoxyethanol 512.91
    tert-butanol 495.06
    MTBE 517.83
    2-butoxyethanol 346.97
    propionic acid 217.05
    o-xylene 310.21
    formic acid 64.78
    diethyl ether 445.67
    m-xylene 404.5
    p-xylene 344.59
    chlorobenzene 419.26
    dimethyl carbonate 267.17
    n-octane 34.07
    formamide 136.63
    cyclopentanone 1183.48
    2-pentanone 496.66
    anisole 359.95
    cyclopentyl methyl ether 639.93
    gamma-butyrolactone 1124.24
    1-methoxy-2-propanol 493.06
    pyridine 680.53
    3-pentanone 354.01
    furfural 702.71
    n-dodecane 26.55
    diethylene glycol 283.21
    diisopropyl ether 221.44
    tert-amyl alcohol 270.75
    acetylacetone 616.3
    n-hexadecane 32.23
    acetophenone 325.83
    methyl propionate 388.6
    isopentyl acetate 482.05
    trichloroethylene 922.25
    n-nonanol 180.64
    cyclohexanol 314.79
    benzyl alcohol 240.12
    2-ethylhexanol 202.95
    isooctanol 180.88
    dipropyl ether 327.18
    1,2-dichlorobenzene 388.15
    ethyl lactate 157.08
    propylene carbonate 607.85
    n-methylformamide 373.06
    2-pentanol 254.96
    n-pentane 62.27
    1-propoxy-2-propanol 437.2
    1-methoxy-2-propyl acetate 500.34
    2-(2-methoxypropoxy) propanol 262.33
    mesitylene 295.41
    ε-caprolactone 592.0
    p-cymene 213.43
    epichlorohydrin 915.5
    1,1,1-trichloroethane 674.75
    2-aminoethanol 139.42
    morpholine-4-carbaldehyde 658.86
    sulfolane 866.56
    2,2,4-trimethylpentane 40.39
    2-methyltetrahydrofuran 822.95
    n-hexyl acetate 418.42
    isooctane 51.92
    2-(2-butoxyethoxy)ethanol 326.79
    sec-butyl acetate 239.32
    tert-butyl acetate 504.61
    decalin 58.67
    glycerin 151.95
    diglyme 697.72
    acrylic acid 192.8
    isopropyl myristate 203.07
    n-butyric acid 371.13
    acetyl acetate 368.85
    di(2-ethylhexyl) phthalate 160.08
    ethyl propionate 278.58
    nitromethane 530.83
    1,2-diethoxyethane 352.77
    benzonitrile 402.78
    trioctyl phosphate 144.79
    1-bromopropane 338.67
    gamma-valerolactone 1124.08
    n-decanol 134.99
    triethyl phosphate 160.19
    4-methyl-2-pentanol 197.53
    propionitrile 448.48
    vinylene carbonate 578.5
    1,1,2-trichlorotrifluoroethane 458.54
    DMS 317.63
    cumene 185.67
    2-octanol 156.39
    2-hexanone 278.05
    octyl acetate 225.91
    limonene 235.71
    1,2-dimethoxyethane 559.47
    ethyl orthosilicate 162.89
    tributyl phosphate 152.98
    diacetone alcohol 396.78
    N,N-dimethylaniline 263.27
    acrylonitrile 476.84
    aniline 377.96
    1,3-propanediol 246.47
    bromobenzene 501.54
    dibromomethane 542.52
    1,1,2,2-tetrachloroethane 707.19
    2-methyl-cyclohexyl acetate 286.39
    tetrabutyl urea 186.31
    diisobutyl methanol 176.18
    2-phenylethanol 338.31
    styrene 239.51
    dioctyl adipate 223.96
    dimethyl sulfate 337.07
    ethyl butyrate 320.45
    methyl lactate 223.91
    butyl lactate 256.57
    diethyl carbonate 215.78
    propanediol butyl ether 256.23
    triethyl orthoformate 258.82
    p-tert-butyltoluene 238.09
    methyl 4-tert-butylbenzoate 396.64
    morpholine 786.69
    tert-butylamine 342.29
    n-dodecanol 103.7
    dimethoxymethane 702.02
    ethylene carbonate 499.26
    cyrene 266.94
    2-ethoxyethyl acetate 380.34
    2-ethylhexyl acetate 365.42
    1,2,4-trichlorobenzene 422.06
    4-methylpyridine 651.77
    dibutyl ether 229.85
    2,6-dimethyl-4-heptanol 176.18
    DEF 391.42
    dimethyl isosorbide 549.63
    tetrachloroethylene 465.39
    eugenol 314.66
    triacetin 336.96
    span 80 257.5
    1,4-butanediol 86.47
    1,1-dichloroethane 627.76
    2-methyl-1-pentanol 138.21
    methyl formate 358.35
    2-methyl-1-butanol 228.46
    n-decane 48.94
    butyronitrile 479.87
    3,7-dimethyl-1-octanol 200.36
    1-chlorooctane 162.06
    1-chlorotetradecane 65.78
    n-nonane 44.74
    undecane 35.16
    tert-butylcyclohexane 60.69
    cyclooctane 53.49
    cyclopentanol 408.43
    tetrahydropyran 809.22
    tert-amyl methyl ether 284.86
    2,5,8-trioxanonane 403.5
    1-hexene 122.74
    2-isopropoxyethanol 204.19
    2,2,2-trifluoroethanol 147.63
    methyl butyrate 320.11

    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
Clove bud 2 8000-34-8 Eugenia caryophyllus (Spreng.) Bullock & Harrison (E.caryophyllata Thunb.) 0.1%
Ginseng Panax ginseng C.A. Meyer (P. quinquefolium L.), fam. Araliaceae 2.0%
Pimento (Allspice) 1 8006-77-7 Pimenta dioica (L.) Merr. (P. officinalis Lindl.), fam. Myrtaceae 0.7%
Pepper, black (India) 1 8006-82-4 Piper nigrum L., fam. Piperaceae 0.04%
Rhus coriaria Rhus coriaria L., fam. Anarcadiaceae 0.8%
Salvia canariensis (Spain) Salvia canariensis L., fam. Lamiaceae (Labiatae) 0.1%
Lime (Mexican, West Indian, Key) 5 8008-26-2 Citrus aurantifolia (Christm.) Swingle, fam. Rutaceae 0.07%
Annona squamosa leaf Annona squamosa L., fam. Annonaceae (sweetsop or custard apple) 0.2%
Lime (Mexican, West Indian, Key) (Peru) 8008-26-2 Citrus aurantifolia (Christm.) Swingle, fam. Rutaceae 0.06%
Lime (Mexican, West Indian, Key) (Ivory Coast) 8008-26-2 Citrus aurantifolia (Christm.) Swingle, fam. Rutaceae 0.05%
Lime (Mexican, West Indian, Key) 7 8008-26-2 Citrus aurantifolia (Christm.) Swingle, fam. Rutaceae 0.07%
Sage, dalmatian (France) 2 8016-20-4 Salvia officinalis L., fam. Lamiaceae (Labiatae) 3.0%
Sage, dalmatian (Hungary) 3 8016-20-4 Salvia officinalis L., fam. Lamiaceae (Labiatae) 1.85%
Sage, dalmatian (Portugal) 8016-20-4 Salvia officinalis L., fam. Lamiaceae (Labiatae) 0.5%
Sage, dalmatian (Romania) 2 8016-20-4 Salvia officinalis L., fam. Lamiaceae (Labiatae) 2.8%
Sage, dalmatian (Czech Republic) 8016-20-4 Salvia officinalis L., fam. Lamiaceae (Labiatae) 1.25%
Ocimum gratissimum (Bangladesh) 1b Ocimum gratissimum L., var. clocimum, fam. Lamiaceae (Labiatae) 0.2%
Sage, dalmatian 9 8022-56-8 Salvia officinalis L., fam. Lamiaceae (Labiatae) 0.6%
Rosemary 2 8000-25-7 Rosmarinus officinalis L., fam. Lamiaceae (Labiatae) 0.2%
Guava fruit (Cuba) 91770-12-6 Psidium guajava L., fam. Myrtaceae 1.0%
Sage, dalmatian (Serbia-Montenegro) 1a leaf Salvia officinalis L., fam. Lamiaceae (Labiatae) 0.01%
Santolina insularis (Italy) 1b hydrodistilled Santolina insularis L., fam. Asteraceae (Compositae) 3.7%
Guava leaf 4 Psidium guajava L., fam. Myrtaceae 0.01%
Pepper, black (India) 6b free volatiles 8006-82-4 Piper nigrum L., fam. Piperaceae 0.01%
Pepper, black (China) 2 root 8006-82-4 Piper nigrum L., fam. Lamiaceae 0.29%
Pepper, black (India) 5a 8006-82-4 Piper nigrum L., cultivar 'Karimunda', fam. Piperaceae 0.15%
Pepper, black (India) 5b 8006-82-4 Piper nigrum L., cultivar 'Kalluvally', fam. Piperaceae 0.65%
Pepper, black (India) 5d 8006-82-4 Piper nigrum L., cultivar 'Arakulam', fam. Piperaceae 0.05%
Fumana thymifolia Fumana thymifolia (L.) Spach ex Webb, fam. Cistaceae 0.05%
Cinnamomum cordatum (Malaysia) 1b bark Cinnamomum cordatum Kosterm., fam. Lauraceae 0.3%
Niaouli (India) Melaleuca quinquenervia (Cav.) S.T. Blake, fam. Myrtaceae 0.05%
Eugenia uruguauensis (Brazil) Eugenia uruguayensis Camb., fam. Myrtaceae 0.4%
Coespeletia thyrsiformis leaf (Venezuela) Coespeletia thyrsiformis (A.C. Smith) Cuatr., fam. Asteraceae 4.7%
Pepper, black (India) 7a cv. Kottanadan Piper nigrum L., cultivar Kottanadan, fam. Piperaceae 0.2%
Pepper, black (India) 7b cv. Ottaplackal 8006-82-4 Piper nigrum L., cultivar Ottaplackal, fam. Piperaceae 0.15%
Pepper, black (India) 7c cv. Kuthiravally Piper nigrum L., cultivar Kuthiravally, fam. Piperaceae 0.05%
Pepper, black (India) 7d cv. Cheriakaniakadan 8006-82-4 Piper nigrum L., cultivar Cheriakaniakadan, fam. Piperceae 0.15%
Argyranthemum adauctum ssp. adauctum Argyranthemum adauctum ssp.adauctum Humphries, fam.Asteraceae (Compositae) 1.0%