alpha-Corocalene

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  • Identifiers

    CAS number
    20129-39-9

    Molecular formula
    C15H20

    SMILES
    CC1=CC2=C(C=CC(=C2CC1)C)C(C)C

  • Odor profile

    Woody 61.29%
    Spicy 59.87%
    Herbal 53.21%
    Phenolic 35.83%
    Leathery 34.81%
    Dry 34.8%
    Citrus 31.66%
    Sweet 31.54%
    Earthy 31.44%
    Terpenic 28.84%

    Scent© AI

  • Properties

    XLogP3-AA
    4.4

    pKa est.
    9.48 (weak base)

    Molecular weight
    200.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    289°C

    Flash point est.
    112.99 ˚C

  • Synonyms

    • alpha-Corocalene
    • .alpha.-Corocalene
    • Cadina-1(6),4,7,9-tetraene
    • 5-Isopropyl-3,8-dimethyl-1,2-dihydronaphthalene
    • 1,2-Dihydro-3,8-dimethyl-5-(1-methylethyl)naphthalene
    • 1,2-Dihydro-5-isopropyl-3,8-dimethylnaphthalene
    • 1,6-Dimethyl-4-isopropyl-7,8-dihydronaphthalene
    • 3,8-dimethyl-5-(propan-2-yl)-1,2-dihydronaphthalene
    • Naphthalene, 1,2-dihydro-3,8-dimethyl-5-(1-methylethyl)-
    • a-Corocalene
    • 20129-39-9
    • 3,8-dimethyl-5-propan-2-yl-1,2-dihydronaphthalene
    • DTXSID401215377
    • 1,6-dimethyl-4-isopropyl-7,8-dihydro-naphthalene

  • Applications

    alpha-Corocalene (CAS 20129-39-9) is a rare organic compound used primarily in research as a GC–MS reference for identification, quantitation, and retention index mapping of essential oils and complex natural mixtures; a probe for terpenoid biosynthetic studies and chemotaxonomy; a molecular scaffold to prepare derivatives for exploratory bioactivity screening (e.g., antimicrobial, insect-related, anti-inflammatory); a model in investigations of biogenic volatile organic compound (BVOC) emissions and atmospheric oxidation; a component in sensory evaluation, aroma reconstitution, and training; and a standard for instrument calibration, spectral verification, and teaching. Because availability and datasets are limited, direct industrial use is uncommon, and any intended application should be validated for performance, safety, and regulatory compliance.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 61.26
    methanol 23.09
    isopropanol 64.67
    water 0.01
    ethyl acetate 282.97
    n-propanol 81.67
    acetone 276.49
    n-butanol 103.4
    acetonitrile 95.42
    DMF 272.92
    toluene 632.38
    isobutanol 71.69
    1,4-dioxane 714.39
    methyl acetate 229.16
    THF 1220.32
    2-butanone 359.25
    n-pentanol 93.9
    sec-butanol 83.41
    n-hexane 179.41
    ethylene glycol 4.52
    NMP 362.11
    cyclohexane 278.36
    DMSO 122.06
    n-butyl acetate 646.29
    n-octanol 153.95
    chloroform 782.06
    n-propyl acetate 223.4
    acetic acid 39.81
    dichloromethane 837.87
    cyclohexanone 656.73
    propylene glycol 12.2
    isopropyl acetate 216.58
    DMAc 290.96
    2-ethoxyethanol 78.49
    isopentanol 107.0
    n-heptane 289.24
    ethyl formate 123.65
    1,2-dichloroethane 526.78
    n-hexanol 270.8
    2-methoxyethanol 83.69
    isobutyl acetate 226.17
    tetrachloromethane 165.87
    n-pentyl acetate 309.5
    transcutol 367.72
    n-heptanol 139.96
    ethylbenzene 325.76
    MIBK 228.06
    2-propoxyethanol 211.22
    tert-butanol 108.03
    MTBE 301.17
    2-butoxyethanol 131.89
    propionic acid 52.92
    o-xylene 302.71
    formic acid 3.29
    diethyl ether 403.55
    m-xylene 368.19
    p-xylene 406.52
    chlorobenzene 446.93
    dimethyl carbonate 91.33
    n-octane 99.4
    formamide 10.31
    cyclopentanone 691.89
    2-pentanone 335.1
    anisole 366.98
    cyclopentyl methyl ether 577.37
    gamma-butyrolactone 451.16
    1-methoxy-2-propanol 93.5
    pyridine 674.02
    3-pentanone 311.77
    furfural 293.78
    n-dodecane 67.61
    diethylene glycol 59.8
    diisopropyl ether 164.6
    tert-amyl alcohol 111.81
    acetylacetone 302.43
    n-hexadecane 81.01
    acetophenone 302.99
    methyl propionate 205.53
    isopentyl acetate 515.58
    trichloroethylene 890.71
    n-nonanol 153.34
    cyclohexanol 178.01
    benzyl alcohol 164.88
    2-ethylhexanol 275.32
    isooctanol 122.94
    dipropyl ether 579.27
    1,2-dichlorobenzene 358.58
    ethyl lactate 61.61
    propylene carbonate 257.65
    n-methylformamide 60.69
    2-pentanol 91.08
    n-pentane 117.92
    1-propoxy-2-propanol 211.32
    1-methoxy-2-propyl acetate 362.06
    2-(2-methoxypropoxy) propanol 184.78
    mesitylene 235.3
    ε-caprolactone 442.99
    p-cymene 302.09
    epichlorohydrin 616.98
    1,1,1-trichloroethane 517.35
    2-aminoethanol 13.9
    morpholine-4-carbaldehyde 356.54
    sulfolane 356.78
    2,2,4-trimethylpentane 56.75
    2-methyltetrahydrofuran 841.12
    n-hexyl acetate 402.53
    isooctane 52.19
    2-(2-butoxyethoxy)ethanol 207.78
    sec-butyl acetate 196.37
    tert-butyl acetate 259.69
    decalin 143.03
    glycerin 13.33
    diglyme 406.03
    acrylic acid 36.9
    isopropyl myristate 216.95
    n-butyric acid 114.44
    acetyl acetate 171.09
    di(2-ethylhexyl) phthalate 155.49
    ethyl propionate 204.08
    nitromethane 94.43
    1,2-diethoxyethane 466.25
    benzonitrile 260.41
    trioctyl phosphate 117.66
    1-bromopropane 502.01
    gamma-valerolactone 524.68
    n-decanol 127.97
    triethyl phosphate 148.37
    4-methyl-2-pentanol 74.57
    propionitrile 136.84
    vinylene carbonate 204.14
    1,1,2-trichlorotrifluoroethane 144.86
    DMS 254.09
    cumene 221.73
    2-octanol 117.61
    2-hexanone 287.97
    octyl acetate 248.67
    limonene 400.4
    1,2-dimethoxyethane 333.7
    ethyl orthosilicate 160.01
    tributyl phosphate 135.8
    diacetone alcohol 163.58
    N,N-dimethylaniline 272.98
    acrylonitrile 118.73
    aniline 235.93
    1,3-propanediol 32.11
    bromobenzene 605.71
    dibromomethane 658.47
    1,1,2,2-tetrachloroethane 599.49
    2-methyl-cyclohexyl acetate 321.8
    tetrabutyl urea 200.5
    diisobutyl methanol 160.64
    2-phenylethanol 277.68
    styrene 363.91
    dioctyl adipate 250.98
    dimethyl sulfate 108.27
    ethyl butyrate 395.36
    methyl lactate 45.78
    butyl lactate 128.91
    diethyl carbonate 210.96
    propanediol butyl ether 90.25
    triethyl orthoformate 251.0
    p-tert-butyltoluene 283.41
    methyl 4-tert-butylbenzoate 257.95
    morpholine 614.49
    tert-butylamine 97.38
    n-dodecanol 111.83
    dimethoxymethane 268.27
    ethylene carbonate 180.09
    cyrene 168.57
    2-ethoxyethyl acetate 337.82
    2-ethylhexyl acetate 506.87
    1,2,4-trichlorobenzene 388.61
    4-methylpyridine 666.19
    dibutyl ether 395.26
    2,6-dimethyl-4-heptanol 160.64
    DEF 312.01
    dimethyl isosorbide 413.79
    tetrachloroethylene 349.43
    eugenol 186.23
    triacetin 243.6
    span 80 183.68
    1,4-butanediol 18.09
    1,1-dichloroethane 442.71
    2-methyl-1-pentanol 118.61
    methyl formate 62.24
    2-methyl-1-butanol 104.54
    n-decane 111.02
    butyronitrile 188.88
    3,7-dimethyl-1-octanol 166.27
    1-chlorooctane 264.31
    1-chlorotetradecane 124.14
    n-nonane 117.0
    undecane 84.85
    tert-butylcyclohexane 127.12
    cyclooctane 135.45
    cyclopentanol 161.57
    tetrahydropyran 951.02
    tert-amyl methyl ether 244.95
    2,5,8-trioxanonane 297.69
    1-hexene 356.79
    2-isopropoxyethanol 91.61
    2,2,2-trifluoroethanol 12.34
    methyl butyrate 249.08

    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
Juniper leaf (France) 8012-91-7 Juniperus communis L., fam. Cupressaceae 0.01%
Phoebe 1 Phoebe porosa Mez. (syn. Oreodaphne porosa Nees et Mart.), fam. Lauraceae 0.8%
Cangerana (Brazil) Cabralea cangerana Sald. (C. glaberrima A. Juss.), fam. Meliaceae 0.4%
Cabore (Brazil) Micrastur ruficolis, fam. Leguminosae (so-called: officially unknown) 0.2%
Hyptis crenata (Brazil) Hyptis crenata Pohl ex Benth, fam. Lamiaceae (Labiatae) 0.3%
Solidago gigantea Solidago gigantea Ait., fam. Asteraceae (Compositae) 0.25%