Cadalene

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  • Identifiers

    CAS number
    483-78-3

    Molecular formula
    C15H18

    SMILES
    CC1=CC2=C(C=CC(=C2C=C1)C)C(C)C

    Retention indicies (RI)

    • DB5: 1666.0
    • Carbowax: 2214.67

  • Odor profile

    Herbal 56.24%
    Spicy 56.03%
    Woody 54.03%
    Leathery 45.39%
    Phenolic 41.67%
    Earthy 38.84%
    Animal 36.03%
    Green 31.82%
    Medicinal 30.75%
    Dry 29.86%

    Scent© AI

  • Properties

    XLogP3-AA
    5.6

    Molecular weight
    198.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    311°C

    Flash point est.
    128.73 ˚C

  • Synonyms

    • CADALENE
    • Cadalin
    • 483-78-3
    • 4-Isopropyl-1,6-dimethylnaphthalene
    • 1,6-dimethyl-4-propan-2-ylnaphthalene
    • Naphthalene, 1,6-dimethyl-4-(1-methylethyl)-
    • UNII-49X2436USB
    • Naphthalene, 4-isopropyl-1,6-dimethyl-
    • 1,6-Dimethyl-4-(1-methylethyl)naphthalene
    • 49X2436USB
    • CADALENE [MI]
    • DTXSID40197483
    • 1,6-dimethyl-4-isopropylnaphthalene
    • 1,6-Dimethyl-4-isopropylnaphthaIene
    • 1,6-dimethyl-4-(1-methylethyl) naphthalene
    • CHEBI:89476
    • DTXCID50119974
    • 1,6-Dimethyl-4-Isopropyl Naphthalene
    • AKOS006280705
    • LMPR0103330007
    • 4-(1-methylethyl)-1,6-dimethylnaphthalene
    • 1,6-dimethyl-4-(1-methylethyl)-naphthalene
    • NS00031790
    • G89257
    • Q2692437
    • 610-418-0

  • Applications

    Cadalene (CAS 483-78-3) is 1,6-dimethyl-4-isopropylnaphthalene, an aromatic hydrocarbon derived from cadinane-type sesquiterpenes in higher plants, used chiefly as a geochemical and biogeochemical biomarker to trace terrestrial organic matter inputs to sediments, coals, and petroleum, to differentiate gymnosperm vs angiosperm sources (e.g., via retene/cadalene ratios and diaromatic sesquiterpenoid distributions), and to aid oil–source rock correlation, thermal maturity assessment, and biodegradation evaluation; in environmental forensics it helps apportion biogenic/petrogenic versus combustion-derived PAHs and reconstruct vegetation and fire-history changes from sediment cores and aerosols; in essential-oil and botanical analysis cadalene serves as a characteristic marker of cadinane-rich oils (e.g., patchouli, juniper, cypress) for authentication, quality control, and adulteration detection via GC–MS fingerprints; in archaeology and heritage science it assists in identifying plant resins, woods, and bituminous materials; it is also used as an analytical reference standard for calibration and method validation in GC/MS, HPLC, and compound-specific isotope analysis (CSIA), and as a model compound in studies of sorption, transport, and ecotoxicity of mid-weight PAHs; it is primarily a research chemical and should be handled with the usual precautions for hydrophobic PAHs.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 310.01
    methanol 124.48
    isopropanol 245.22
    water 0.02
    ethyl acetate 1259.31
    n-propanol 353.05
    acetone 1465.5
    n-butanol 414.11
    acetonitrile 483.23
    DMF 1412.36
    toluene 1902.3
    isobutanol 262.43
    1,4-dioxane 2879.61
    methyl acetate 930.44
    THF 5574.96
    2-butanone 1566.85
    n-pentanol 310.88
    sec-butanol 277.36
    n-hexane 720.5
    ethylene glycol 11.27
    NMP 1102.62
    cyclohexane 810.51
    DMSO 462.54
    n-butyl acetate 2743.8
    n-octanol 377.95
    chloroform 2302.15
    n-propyl acetate 924.03
    acetic acid 129.69
    dichloromethane 3379.31
    cyclohexanone 2713.49
    propylene glycol 25.67
    isopropyl acetate 735.47
    DMAc 844.58
    2-ethoxyethanol 239.86
    isopentanol 334.94
    n-heptane 998.06
    ethyl formate 614.68
    1,2-dichloroethane 2303.06
    n-hexanol 968.84
    2-methoxyethanol 314.4
    isobutyl acetate 731.84
    tetrachloromethane 410.76
    n-pentyl acetate 869.68
    transcutol 783.69
    n-heptanol 360.11
    ethylbenzene 955.7
    MIBK 713.18
    2-propoxyethanol 762.0
    tert-butanol 322.31
    MTBE 1038.65
    2-butoxyethanol 354.61
    propionic acid 166.36
    o-xylene 682.68
    formic acid 9.49
    diethyl ether 2080.92
    m-xylene 926.16
    p-xylene 1085.01
    chlorobenzene 1230.48
    dimethyl carbonate 308.69
    n-octane 285.09
    formamide 40.21
    cyclopentanone 3178.42
    2-pentanone 1550.19
    anisole 1032.38
    cyclopentyl methyl ether 2236.87
    gamma-butyrolactone 2000.6
    1-methoxy-2-propanol 291.7
    pyridine 2598.01
    3-pentanone 1308.63
    furfural 948.94
    n-dodecane 145.98
    diethylene glycol 136.67
    diisopropyl ether 496.18
    tert-amyl alcohol 298.25
    acetylacetone 1056.88
    n-hexadecane 176.62
    acetophenone 686.44
    methyl propionate 859.47
    isopentyl acetate 1804.27
    trichloroethylene 3281.85
    n-nonanol 350.55
    cyclohexanol 540.57
    benzyl alcohol 378.89
    2-ethylhexanol 846.88
    isooctanol 278.59
    dipropyl ether 2615.08
    1,2-dichlorobenzene 778.32
    ethyl lactate 140.74
    propylene carbonate 840.8
    n-methylformamide 317.91
    2-pentanol 307.37
    n-pentane 399.98
    1-propoxy-2-propanol 665.41
    1-methoxy-2-propyl acetate 1048.07
    2-(2-methoxypropoxy) propanol 293.63
    mesitylene 470.44
    ε-caprolactone 1562.18
    p-cymene 650.11
    epichlorohydrin 2689.27
    1,1,1-trichloroethane 1539.41
    2-aminoethanol 39.32
    morpholine-4-carbaldehyde 1142.86
    sulfolane 1056.32
    2,2,4-trimethylpentane 113.52
    2-methyltetrahydrofuran 3380.07
    n-hexyl acetate 1094.55
    isooctane 107.96
    2-(2-butoxyethoxy)ethanol 411.81
    sec-butyl acetate 580.34
    tert-butyl acetate 714.35
    decalin 323.59
    glycerin 24.73
    diglyme 1086.47
    acrylic acid 103.87
    isopropyl myristate 442.08
    n-butyric acid 411.86
    acetyl acetate 501.86
    di(2-ethylhexyl) phthalate 238.84
    ethyl propionate 772.57
    nitromethane 394.45
    1,2-diethoxyethane 1548.85
    benzonitrile 664.99
    trioctyl phosphate 213.5
    1-bromopropane 1989.49
    gamma-valerolactone 2281.89
    n-decanol 277.51
    triethyl phosphate 313.06
    4-methyl-2-pentanol 178.66
    propionitrile 581.4
    vinylene carbonate 647.39
    1,1,2-trichlorotrifluoroethane 326.5
    DMS 601.04
    cumene 506.99
    2-octanol 279.46
    2-hexanone 1139.71
    octyl acetate 541.38
    limonene 982.16
    1,2-dimethoxyethane 1423.24
    ethyl orthosilicate 330.96
    tributyl phosphate 251.99
    diacetone alcohol 391.57
    N,N-dimethylaniline 682.49
    acrylonitrile 489.72
    aniline 669.44
    1,3-propanediol 101.92
    bromobenzene 1650.53
    dibromomethane 2354.93
    1,1,2,2-tetrachloroethane 1783.79
    2-methyl-cyclohexyl acetate 767.51
    tetrabutyl urea 392.31
    diisobutyl methanol 366.13
    2-phenylethanol 665.32
    styrene 1096.54
    dioctyl adipate 500.24
    dimethyl sulfate 286.33
    ethyl butyrate 1487.59
    methyl lactate 106.29
    butyl lactate 275.41
    diethyl carbonate 675.25
    propanediol butyl ether 180.35
    triethyl orthoformate 727.58
    p-tert-butyltoluene 597.26
    methyl 4-tert-butylbenzoate 448.91
    morpholine 2661.96
    tert-butylamine 294.86
    n-dodecanol 228.09
    dimethoxymethane 1296.61
    ethylene carbonate 625.75
    cyrene 304.9
    2-ethoxyethyl acetate 855.94
    2-ethylhexyl acetate 1731.91
    1,2,4-trichlorobenzene 784.09
    4-methylpyridine 2466.55
    dibutyl ether 1304.19
    2,6-dimethyl-4-heptanol 366.13
    DEF 1312.48
    dimethyl isosorbide 837.68
    tetrachloroethylene 1072.8
    eugenol 343.5
    triacetin 456.55
    span 80 306.33
    1,4-butanediol 42.57
    1,1-dichloroethane 1719.34
    2-methyl-1-pentanol 307.57
    methyl formate 334.88
    2-methyl-1-butanol 328.75
    n-decane 284.27
    butyronitrile 835.26
    3,7-dimethyl-1-octanol 341.81
    1-chlorooctane 712.57
    1-chlorotetradecane 264.43
    n-nonane 318.24
    undecane 195.74
    tert-butylcyclohexane 280.17
    cyclooctane 341.82
    cyclopentanol 533.52
    tetrahydropyran 4153.2
    tert-amyl methyl ether 701.39
    2,5,8-trioxanonane 562.31
    1-hexene 1486.17
    2-isopropoxyethanol 239.65
    2,2,2-trifluoroethanol 30.33
    methyl butyrate 1037.88

    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
Ayou Aydendron barbeyana Mez. (Nectandra globosa Mez.), fam. Lauraceae 0.6%
Muhuhu Brachylaena hutchinsii Hutch. (Synchodendron hutchii Hutch.), Asteraceae 3.0%
Cascarilla 2 8007-06-5 Croton eluteria Bennett, fam. Euphorbiaceae 0.22%
Orris butter 8002-73-1 Iris florentina L., fam. Iridaceae 0.01%
Clove leaf (Indonesia) 1 8000-34-8 Eugenia caryophyllus (Spreng.) Bullock & Harrison, fam. Myrtaceae 0.01%
Cedrus atlantica (Morocco) Cedrus atlantica Man., fam. Cupressaceae 0.01%
Copaiba (Colombia) 8001-61-4 Copaifera officinalis L., fam. Legumiosae (Papilionaceae) 0.73%
Cinnamomum parthenoxylon (Vietnam) 1b Cinnamomum parthenoxylon (Jack) Nees, fam. Lauraceae 0.05%
Triphasia trifolia Mauritius Triphasia trifolia (Burm. f.), fam. Rutaceae 7.1%
Phoebe 1 Phoebe porosa Mez. (syn. Oreodaphne porosa Nees et Mart.), fam. Lauraceae 0.37%
Micromeria carminea (Turkey) Micromeria carminea P.H. Davis (syn.M.cristata), fam. Lamiaceae (Labiatae) 0.23%
Heterotheca inuloides leaf (Mexico) Heterotheca inuloides Cass., fam. Asteraceae (Compositae) 0.02%
Cangerana (Brazil) Cabralea cangerana Sald. (C. glaberrima A. Juss.), fam. Meliaceae 0.2%
Lavender (Lithuania) 8000-28-0 Lavandula angustifolia Mill., fam. Lamiaceae (Labiatae) 0.01%
St. John's wort (Turkey) 84082-80-4 Hypericum perforatum L., fam. Guttiferae (Hypericaceae) 3.2%
Hypericum scabrum (Turkey) Hypericum scabrum L., fam. Guttiferae (Hypericeae) 3.4%
Eremocharis triradiata Eremocharis triradiata (Wolff.) Johnston, fam. Apiaceae (Umbelliferae) 0.1%
Aristolochia brevipes Aristolochia brevipes Benth., fam. Aristolochiaceae 0.2%
Pelargonium sidoides Pelargonium sidoides DC., fam. Geraniaceae 0.9%
Pelargonium reniforme Pelargonium reniforme Curt., fam. Geraniaceae 1.5%
Cabore (Brazil) Micrastur ruficolis, fam. Leguminosae (so-called: officially unknown) 0.3%
Geranium (Cuba) 8000-46-2 Pelargonium species, fam. Geraniaceae 1.0%
Cinnamon flower (India) 8007-80-5 Cinnamomum zeylanicum Blume (C. verum L. Presl), fam. Lauraceae 1.39%
Laurel leaf (Turkey) 4 8006-78-8 Laurus nobilis L., fam. Lauraceae 0.1%
Aristolochia odoratissima Aristolochia odoratissima L., fam. Aristolochaceae 0.05%
Teucrium carolipaui (Spain) Teucrium carolipaui Pau, fam. Lamiaceae (Labiatae) 1.9%
Solidago gigantea Solidago gigantea Ait., fam. Asteraceae (Compositae) 0.1%
Clove leaf (India) 8000-34-8 Eugenia caryophyllus (Spreng.) Bullock & Harrison, fam. Myrtaceae 0.18%
Salvia desoleana (Italy) 1a CO2-extract Salvia desoleana, fam. Lamiaceae (Labiatae) 0.1%
Salvia desoleana (Italy) 1b hydrodistilled Salvia desoleana, fam. Lamiaceae (Labiatae) 0.3%
Nepeta argolica (Greece) 1a chemotype 1 Nepeta argolica Bory & Chaub. ssp. argolica, fam. Lamiaceae (Labiatae) 1.26%
Nepeta argolica (Greece) 1b chemotype 2 Nepeta argolica Bory & Chaub. ssp. argolica, fam. Lamiaceae (Labiatae) 0.08%
Leea guineensis (Cameroon) 1b leaf Leea guineensis G. Don, fam. Leeaceae 1.2%
Salvia brachyodon (Yugoslavia) Salvia brachyodon Vandas, fam. Lamiaceae (Labiatae) 0.3%
Thymus migricus (Turkey) Thymus migricus Klokov et Des.-Shost., fam. Lamiaceae (Labiatae) 0.02%
Eugenia catharinensis leaf (Brazil) Eugenia catharinensis D. Legrand, fam. Myrtaceae 1.5%
Eugenia joenssonii leaf (Brazil) Eugenia joenssonii Kausel, fasm. Myrtaceae 1.7%
Aniba riparia (Brazil) 1d trunk wood Aniba riparia (Nees) Mez, fam. Lauraceae 0.1%
Nepeta argolica (Greece) 2 Nepeta argolica Bory et Chaub. ssp. argolica, fam. Lamiaceae (Labiatae) 0.05%
Micromeria graeca (Greece) Micromeria graeca (L.) Bentham et Reichenb., fam. Lamiaceae (Labiatae) 1.1%
Hypericum perfoliatum (Greece) Hypericum perfoliatum L., fam. Guttiferae (Hyperiaceae) 0.4%