Naphthalene, 1,2,3,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1S-cis)-

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  • Identifiers

    CAS number
    16729-01-4

    Molecular formula
    C15H24

    SMILES
    CC1=CC2C(CCC(=C2CC1)C)C(C)C

    Retention indicies (RI)

    • Carbowax: 1662.0

  • Odor profile

    Woody 82.01%
    Spicy 67.02%
    Herbal 58.63%
    Citrus 41.28%
    Fresh 41.03%
    Balsamic 40.26%
    Terpenic 39.72%
    Dry 39.52%
    Sweet 38.28%
    Green 33.5%

    Scent© AI

  • Properties

    XLogP3-AA
    3.8

    Molecular weight
    204.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    277°C

    Flash point est.
    97.7 ˚C

  • Synonyms

    • Cadina-1(10),4-diene
    • 16729-01-4
    • 4,7-dimethyl-1-propan-2-yl-1,2,3,5,6,8a-hexahydronaphthalene
    • 1-Isopropyl-4,7-dimethyl-1,2,3,5,6,8a-hexahydronaphthalene
    • delta-Amorphene
    • (+)-delta-amorphene
    • (+)-?-Cadinene
    • Naphthalene, 1,2,3,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1S-cis)-
    • CHEBI:140564
    • D-Amorphene
    • 4,7-dimethyl-1-(propan-2-yl)-1,2,3,5,6,8a-hexahydronaphthalene
    • cadinene (delta-)
    • rel-(1R,8aS)-1-isopropyl-4,7-dimethyl-1,2,3,5,6,8a-hexahydronaphthalene
    • DTXSID60862005
    • DTXSID80274505
    • FUCYIEXQVQJBKY-UHFFFAOYSA-N
    • AAA48376

  • Applications

    Naphthalene, 1,2,3,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1S-cis)- (CAS 16729-01-4) is a decalin-based sesquiterpene hydrocarbon with a characteristic woody odor; in practice, it is used primarily as a fragrance ingredient imparting cedarwood and slightly camphoraceous woody nuances in fine fragrances, deodorants, personal-care products, and perfumed cleaners; it is also employed as a reference marker/standard in GC-MS and retention-index calibration for the identification and quantification of sesquiterpenes in wood essential oils and resins; additionally, the compound serves as a feedstock/building block for conversion to more strongly odorous oxygenated derivatives, as a model molecule in studies of hydrocarbon catalysis (selective hydrogenation/oxidation) and the environmental behavior of hydrophobic terpenes, and it has been investigated for its contribution or synergy to insect-repellent activity when present within natural wood-oil mixtures (with performance dependent on formulation and dosage).

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 60.54
    methanol 21.14
    isopropanol 73.71
    water 0.02
    ethyl acetate 230.93
    n-propanol 82.48
    acetone 180.73
    n-butanol 115.91
    acetonitrile 85.25
    DMF 115.31
    toluene 541.47
    isobutanol 75.91
    1,4-dioxane 569.06
    methyl acetate 161.28
    THF 963.37
    2-butanone 253.35
    n-pentanol 80.9
    sec-butanol 87.61
    n-hexane 131.77
    ethylene glycol 3.47
    NMP 179.39
    cyclohexane 303.81
    DMSO 84.76
    n-butyl acetate 540.17
    n-octanol 138.55
    chloroform 586.91
    n-propyl acetate 171.23
    acetic acid 36.61
    dichloromethane 538.14
    cyclohexanone 484.57
    propylene glycol 10.98
    isopropyl acetate 198.01
    DMAc 150.65
    2-ethoxyethanol 63.44
    isopentanol 121.68
    n-heptane 268.59
    ethyl formate 89.0
    1,2-dichloroethane 337.65
    n-hexanol 265.63
    2-methoxyethanol 75.45
    isobutyl acetate 166.04
    tetrachloromethane 145.68
    n-pentyl acetate 246.09
    transcutol 443.16
    n-heptanol 128.66
    ethylbenzene 242.7
    MIBK 191.14
    2-propoxyethanol 201.17
    tert-butanol 115.53
    MTBE 272.65
    2-butoxyethanol 131.95
    propionic acid 46.66
    o-xylene 260.61
    formic acid 3.14
    diethyl ether 332.8
    m-xylene 317.44
    p-xylene 288.39
    chlorobenzene 335.89
    dimethyl carbonate 51.46
    n-octane 78.57
    formamide 7.78
    cyclopentanone 480.21
    2-pentanone 248.39
    anisole 263.55
    cyclopentyl methyl ether 455.48
    gamma-butyrolactone 311.27
    1-methoxy-2-propanol 93.41
    pyridine 506.2
    3-pentanone 216.72
    furfural 209.61
    n-dodecane 51.09
    diethylene glycol 59.95
    diisopropyl ether 151.24
    tert-amyl alcohol 114.65
    acetylacetone 224.66
    n-hexadecane 60.62
    acetophenone 210.01
    methyl propionate 143.79
    isopentyl acetate 457.86
    trichloroethylene 519.16
    n-nonanol 139.3
    cyclohexanol 186.46
    benzyl alcohol 120.78
    2-ethylhexanol 275.22
    isooctanol 120.43
    dipropyl ether 519.77
    1,2-dichlorobenzene 265.03
    ethyl lactate 49.87
    propylene carbonate 199.25
    n-methylformamide 32.92
    2-pentanol 98.91
    n-pentane 114.66
    1-propoxy-2-propanol 219.02
    1-methoxy-2-propyl acetate 316.85
    2-(2-methoxypropoxy) propanol 182.68
    mesitylene 211.65
    ε-caprolactone 351.02
    p-cymene 264.6
    epichlorohydrin 394.95
    1,1,1-trichloroethane 388.94
    2-aminoethanol 12.17
    morpholine-4-carbaldehyde 222.56
    sulfolane 240.13
    2,2,4-trimethylpentane 51.67
    2-methyltetrahydrofuran 695.98
    n-hexyl acetate 322.69
    isooctane 50.9
    2-(2-butoxyethoxy)ethanol 217.52
    sec-butyl acetate 155.62
    tert-butyl acetate 237.43
    decalin 117.51
    glycerin 12.83
    diglyme 390.2
    acrylic acid 29.0
    isopropyl myristate 183.28
    n-butyric acid 116.6
    acetyl acetate 150.08
    di(2-ethylhexyl) phthalate 131.26
    ethyl propionate 153.82
    nitromethane 64.93
    1,2-diethoxyethane 431.27
    benzonitrile 210.26
    trioctyl phosphate 97.38
    1-bromopropane 392.2
    gamma-valerolactone 383.33
    n-decanol 113.67
    triethyl phosphate 128.16
    4-methyl-2-pentanol 84.82
    propionitrile 127.03
    vinylene carbonate 157.88
    1,1,2-trichlorotrifluoroethane 111.07
    DMS 171.6
    cumene 164.55
    2-octanol 102.61
    2-hexanone 206.68
    octyl acetate 201.5
    limonene 356.0
    1,2-dimethoxyethane 252.99
    ethyl orthosilicate 141.9
    tributyl phosphate 113.87
    diacetone alcohol 150.82
    N,N-dimethylaniline 188.07
    acrylonitrile 92.91
    aniline 213.85
    1,3-propanediol 32.17
    bromobenzene 458.04
    dibromomethane 465.04
    1,1,2,2-tetrachloroethane 396.13
    2-methyl-cyclohexyl acetate 277.49
    tetrabutyl urea 153.5
    diisobutyl methanol 167.57
    2-phenylethanol 224.21
    styrene 263.73
    dioctyl adipate 199.57
    dimethyl sulfate 60.62
    ethyl butyrate 333.67
    methyl lactate 36.84
    butyl lactate 112.24
    diethyl carbonate 178.4
    propanediol butyl ether 87.38
    triethyl orthoformate 232.68
    p-tert-butyltoluene 253.95
    methyl 4-tert-butylbenzoate 210.73
    morpholine 485.23
    tert-butylamine 115.56
    n-dodecanol 96.15
    dimethoxymethane 160.17
    ethylene carbonate 145.94
    cyrene 125.56
    2-ethoxyethyl acetate 256.65
    2-ethylhexyl acetate 440.45
    1,2,4-trichlorobenzene 300.64
    4-methylpyridine 477.29
    dibutyl ether 343.53
    2,6-dimethyl-4-heptanol 167.57
    DEF 199.79
    dimethyl isosorbide 365.14
    tetrachloroethylene 238.18
    eugenol 152.53
    triacetin 201.3
    span 80 178.92
    1,4-butanediol 14.63
    1,1-dichloroethane 319.15
    2-methyl-1-pentanol 102.08
    methyl formate 31.73
    2-methyl-1-butanol 107.05
    n-decane 89.26
    butyronitrile 180.8
    3,7-dimethyl-1-octanol 165.2
    1-chlorooctane 206.39
    1-chlorotetradecane 92.85
    n-nonane 92.77
    undecane 64.58
    tert-butylcyclohexane 97.91
    cyclooctane 143.18
    cyclopentanol 152.45
    tetrahydropyran 844.68
    tert-amyl methyl ether 201.95
    2,5,8-trioxanonane 290.21
    1-hexene 257.45
    2-isopropoxyethanol 76.53
    2,2,2-trifluoroethanol 10.87
    methyl butyrate 178.45

    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
Manuka (New Zealand) 1 Leptospermum scoparium J.R. et F. Forst., fam. Myrtaceae 3.81%
Kanuka (New Zealand) 2 Kunzea ericoides (A. Rich.) J. Thompson, fam. Myrtaceae 0.49%
Manuka (New Zealand) 3 Leptospermum scoparium J.R. et G. Forst., fam. Myrtaceae 3.5%
Vetiver (Haiti) 84238-29-9 Vetiveria zizanioides Stapf, fam. Poaceae (Gramineae) 0.3%