Thujopsadiene

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  • Identifiers

    CAS number
    24048-40-6

    Molecular formula
    C15H22

    SMILES
    CC1=CCC2(CC=CC(C23C1C3)(C)C)C

    Retention indicies (RI)

    • DB5: 1462.0

  • Odor profile

    Woody 87.9%
    Dry 49.28%
    Spicy 45.81%
    Sweet 45.57%
    Amber 45.12%
    Cedar 39.63%
    Sandalwood 32.46%
    Balsamic 31.6%
    Vetiver 30.94%
    Fresh 30.72%

    Scent© AI

  • Properties

    XLogP3-AA
    4.2

    Molecular weight
    202.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    249°C

    Flash point est.
    97.8 ˚C

  • Synonyms

    • Thujopsadiene
    • 2,4a,8,8-tetramethyl-1,1a,4,5-tetrahydrocyclopropa[j]naphthalene
    • 2,4a,8,8-tetramethyl-1,1a,4,5-tetrahydrocyclopropa(j)naphthalene
    • Q67880107
    • 24048-40-6

  • Applications

    Thujopsadiene (CAS 24048-40-6) is a sesquiterpene diene present in cedarwood oils, used primarily as a woody, dry, balsamic fragrance ingredient in fine perfumery, deodorants and personal-care products to build and nuance cedar/woody/leather bases; as a reference standard and marker in GC-MS/HPLC for qualitative/quantitative analysis, quality control of cedarwood essential oils, batch consistency monitoring and raw-material traceability; as a renewable terpene feedstock and synthetic building block for method development and selective catalysis studies; and as a target for evaluating bioactivity and synergistic effects in natural formulations for wood preservation, insect management or antimicrobial performance, with practical deployment subject to safety assessments, purity specifications and jurisdictional concentration limits.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 43.09
    methanol 28.05
    isopropanol 48.95
    water 0.23
    ethyl acetate 113.94
    n-propanol 54.36
    acetone 130.28
    n-butanol 56.33
    acetonitrile 61.23
    DMF 169.65
    toluene 178.47
    isobutanol 47.84
    1,4-dioxane 217.66
    methyl acetate 104.64
    THF 392.06
    2-butanone 137.66
    n-pentanol 41.03
    sec-butanol 46.11
    n-hexane 25.35
    ethylene glycol 9.95
    NMP 156.35
    cyclohexane 48.82
    DMSO 67.56
    n-butyl acetate 129.81
    n-octanol 53.98
    chloroform 204.51
    n-propyl acetate 84.9
    acetic acid 30.24
    dichloromethane 165.37
    cyclohexanone 222.24
    propylene glycol 15.1
    isopropyl acetate 107.48
    DMAc 153.67
    2-ethoxyethanol 55.78
    isopentanol 53.85
    n-heptane 36.27
    ethyl formate 54.81
    1,2-dichloroethane 123.91
    n-hexanol 86.26
    2-methoxyethanol 76.02
    isobutyl acetate 85.12
    tetrachloromethane 68.52
    n-pentyl acetate 98.46
    transcutol 127.42
    n-heptanol 58.51
    ethylbenzene 104.3
    MIBK 114.69
    2-propoxyethanol 129.95
    tert-butanol 62.79
    MTBE 112.6
    2-butoxyethanol 88.12
    propionic acid 39.82
    o-xylene 121.18
    formic acid 7.42
    diethyl ether 115.91
    m-xylene 150.24
    p-xylene 131.32
    chlorobenzene 137.21
    dimethyl carbonate 69.22
    n-octane 18.91
    formamide 18.48
    cyclopentanone 280.42
    2-pentanone 134.1
    anisole 148.53
    cyclopentyl methyl ether 186.46
    gamma-butyrolactone 200.76
    1-methoxy-2-propanol 80.47
    pyridine 176.59
    3-pentanone 124.66
    furfural 146.67
    n-dodecane 14.47
    diethylene glycol 65.59
    diisopropyl ether 69.43
    tert-amyl alcohol 55.84
    acetylacetone 166.13
    n-hexadecane 17.28
    acetophenone 128.52
    methyl propionate 109.59
    isopentyl acetate 139.85
    trichloroethylene 204.17
    n-nonanol 57.14
    cyclohexanol 71.18
    benzyl alcohol 75.75
    2-ethylhexanol 74.28
    isooctanol 52.78
    dipropyl ether 124.4
    1,2-dichlorobenzene 137.55
    ethyl lactate 43.68
    propylene carbonate 106.04
    n-methylformamide 51.76
    2-pentanol 48.23
    n-pentane 26.67
    1-propoxy-2-propanol 107.04
    1-methoxy-2-propyl acetate 158.03
    2-(2-methoxypropoxy) propanol 84.3
    mesitylene 104.83
    ε-caprolactone 155.66
    p-cymene 89.47
    epichlorohydrin 203.62
    1,1,1-trichloroethane 158.14
    2-aminoethanol 20.86
    morpholine-4-carbaldehyde 183.32
    sulfolane 174.41
    2,2,4-trimethylpentane 17.31
    2-methyltetrahydrofuran 214.17
    n-hexyl acetate 126.34
    isooctane 19.94
    2-(2-butoxyethoxy)ethanol 92.74
    sec-butyl acetate 79.15
    tert-butyl acetate 128.76
    decalin 33.97
    glycerin 19.55
    diglyme 176.36
    acrylic acid 33.4
    isopropyl myristate 75.62
    n-butyric acid 60.37
    acetyl acetate 90.62
    di(2-ethylhexyl) phthalate 60.3
    ethyl propionate 95.34
    nitromethane 71.67
    1,2-diethoxyethane 106.81
    benzonitrile 111.0
    trioctyl phosphate 48.92
    1-bromopropane 104.41
    gamma-valerolactone 244.85
    n-decanol 46.54
    triethyl phosphate 64.05
    4-methyl-2-pentanol 45.97
    propionitrile 82.38
    vinylene carbonate 106.54
    1,1,2-trichlorotrifluoroethane 90.08
    DMS 119.04
    cumene 77.27
    2-octanol 45.18
    2-hexanone 100.6
    octyl acetate 79.65
    limonene 101.4
    1,2-dimethoxyethane 139.34
    ethyl orthosilicate 64.21
    tributyl phosphate 52.27
    diacetone alcohol 96.61
    N,N-dimethylaniline 108.98
    acrylonitrile 81.85
    aniline 99.46
    1,3-propanediol 36.26
    bromobenzene 171.34
    dibromomethane 128.99
    1,1,2,2-tetrachloroethane 157.15
    2-methyl-cyclohexyl acetate 114.36
    tetrabutyl urea 71.3
    diisobutyl methanol 57.85
    2-phenylethanol 116.74
    styrene 110.37
    dioctyl adipate 81.5
    dimethyl sulfate 86.31
    ethyl butyrate 109.04
    methyl lactate 46.55
    butyl lactate 61.1
    diethyl carbonate 75.25
    propanediol butyl ether 55.31
    triethyl orthoformate 86.43
    p-tert-butyltoluene 92.2
    methyl 4-tert-butylbenzoate 125.32
    morpholine 183.34
    tert-butylamine 52.02
    n-dodecanol 38.01
    dimethoxymethane 159.8
    ethylene carbonate 97.15
    cyrene 88.66
    2-ethoxyethyl acetate 120.66
    2-ethylhexyl acetate 122.03
    1,2,4-trichlorobenzene 146.31
    4-methylpyridine 193.33
    dibutyl ether 80.74
    2,6-dimethyl-4-heptanol 57.85
    DEF 120.78
    dimethyl isosorbide 176.17
    tetrachloroethylene 115.85
    eugenol 99.97
    triacetin 109.56
    span 80 74.25
    1,4-butanediol 18.58
    1,1-dichloroethane 127.18
    2-methyl-1-pentanol 42.46
    methyl formate 44.76
    2-methyl-1-butanol 49.26
    n-decane 24.8
    butyronitrile 82.25
    3,7-dimethyl-1-octanol 58.07
    1-chlorooctane 61.61
    1-chlorotetradecane 31.49
    n-nonane 22.46
    undecane 18.59
    tert-butylcyclohexane 31.75
    cyclooctane 31.19
    cyclopentanol 78.67
    tetrahydropyran 211.58
    tert-amyl methyl ether 89.22
    2,5,8-trioxanonane 124.06
    1-hexene 56.53
    2-isopropoxyethanol 56.94
    2,2,2-trifluoroethanol 21.49
    methyl butyrate 100.3

    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
Cedarwood, Mulanje Widdringtonia whytei Rendle, fam. Cupressaceae 7.1%