4,4,7-Trimethyl-1,2,3,4,5,6-hexahydronaphthalene

Overview IFRA Request a quote

  • Identifiers

    CAS number
    62696-17-7

    Molecular formula
    C13H20

    SMILES
    CC1=CC2=C(CC1)C(CCC2)(C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 84.42%
    Sweet 57.68%
    Dry 47.15%
    Amber 46.13%
    Spicy 45.58%
    Fruity 38.99%
    Musk 38.76%
    Powdery 38.38%
    Floral 36.53%
    Cedar 35.75%

     

    Flavor
    Woody 53.75%
    Wood 44.85%
    Dry 37.44%
    Sweet 33.13%
    Earthy 29.96%
    Camphor 28.76%
    Spicy 27.89%
    Spice 26.76%
    Fresh 26.28%
    Powdery 24.18%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    10.5 (weak base)

    Molecular weight
    176.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    242°C

    Flash point

    • 88.21 ˚C est.

  • Synonyms

    • 62696-17-7
    • 4,4,7-Trimethyl-1,2,3,4,5,6-hexahydronaphthalene
    • DTXSID60806005
    • 62696-17-7

  • Applications

    4,4,7-Trimethyl-1,2,3,4,5,6-hexahydronaphthalene (CAS 62696-17-7) is a hydrogenated naphthalene derivative that can function as a nonpolar, high-boiling hydrocarbon building block in specialty formulations. In perfumery, it may be used as a fragrance ingredient or fixative to extend scent retention; in cosmetics/personal care, it can be incorporated as a fragrance component in formulations; in household products, it can serve as a fragrance additive. In industrial manufacturing, it is sometimes evaluated as an intermediate or building block for the synthesis of more complex aroma compounds. In polymers/plastics and coatings, it can be considered as a rigid hydrocarbon platform for formulation components, subject to regulatory limits and local requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 74.13
    methanol 43.12
    isopropanol 63.21
    water 0.03
    ethyl acetate 227.3
    n-propanol 82.64
    acetone 158.28
    n-butanol 107.52
    acetonitrile 104.58
    DMF 128.95
    toluene 458.2
    isobutanol 67.07
    1,4-dioxane 512.22
    methyl acetate 152.52
    THF 866.43
    2-butanone 212.53
    n-pentanol 64.41
    sec-butanol 69.79
    n-hexane 129.92
    ethylene glycol 4.06
    NMP 195.06
    cyclohexane 283.8
    DMSO 72.9
    n-butyl acetate 494.52
    n-octanol 130.22
    chloroform 438.39
    n-propyl acetate 148.93
    acetic acid 37.79
    dichloromethane 420.15
    cyclohexanone 411.97
    propylene glycol 9.25
    isopropyl acetate 181.22
    DMAc 147.92
    2-ethoxyethanol 58.32
    isopentanol 101.06
    n-heptane 263.1
    ethyl formate 89.35
    1,2-dichloroethane 265.37
    n-hexanol 281.69
    2-methoxyethanol 85.22
    isobutyl acetate 143.39
    tetrachloromethane 114.67
    n-pentyl acetate 208.16
    transcutol 421.08
    n-heptanol 126.36
    ethylbenzene 187.31
    MIBK 169.57
    2-propoxyethanol 222.03
    tert-butanol 97.64
    MTBE 225.23
    2-butoxyethanol 120.33
    propionic acid 43.48
    o-xylene 223.13
    formic acid 5.22
    diethyl ether 336.7
    m-xylene 280.15
    p-xylene 226.81
    chlorobenzene 291.08
    dimethyl carbonate 62.09
    n-octane 71.62
    formamide 11.32
    cyclopentanone 389.71
    2-pentanone 222.54
    anisole 228.24
    cyclopentyl methyl ether 432.12
    gamma-butyrolactone 302.48
    1-methoxy-2-propanol 91.45
    pyridine 391.55
    3-pentanone 209.79
    furfural 192.02
    n-dodecane 46.32
    diethylene glycol 61.61
    diisopropyl ether 149.56
    tert-amyl alcohol 87.94
    acetylacetone 189.96
    n-hexadecane 55.1
    acetophenone 173.51
    methyl propionate 154.85
    isopentyl acetate 395.43
    trichloroethylene 389.52
    n-nonanol 132.44
    cyclohexanol 151.46
    benzyl alcohol 93.95
    2-ethylhexanol 260.72
    isooctanol 109.12
    dipropyl ether 542.19
    1,2-dichlorobenzene 237.89
    ethyl lactate 44.39
    propylene carbonate 187.42
    n-methylformamide 43.06
    2-pentanol 82.0
    n-pentane 108.78
    1-propoxy-2-propanol 211.95
    1-methoxy-2-propyl acetate 287.92
    2-(2-methoxypropoxy) propanol 166.02
    mesitylene 189.15
    ε-caprolactone 309.65
    p-cymene 217.82
    epichlorohydrin 331.61
    1,1,1-trichloroethane 289.42
    2-aminoethanol 14.23
    morpholine-4-carbaldehyde 234.16
    sulfolane 229.6
    2,2,4-trimethylpentane 43.78
    2-methyltetrahydrofuran 568.81
    n-hexyl acetate 292.74
    isooctane 45.98
    2-(2-butoxyethoxy)ethanol 195.59
    sec-butyl acetate 139.89
    tert-butyl acetate 210.15
    decalin 100.53
    glycerin 12.91
    diglyme 360.69
    acrylic acid 28.82
    isopropyl myristate 159.93
    n-butyric acid 110.8
    acetyl acetate 133.94
    di(2-ethylhexyl) phthalate 112.88
    ethyl propionate 154.2
    nitromethane 72.68
    1,2-diethoxyethane 392.18
    benzonitrile 178.58
    trioctyl phosphate 86.39
    1-bromopropane 318.19
    gamma-valerolactone 352.31
    n-decanol 101.37
    triethyl phosphate 121.01
    4-methyl-2-pentanol 71.19
    propionitrile 151.44
    vinylene carbonate 155.68
    1,1,2-trichlorotrifluoroethane 88.93
    DMS 164.86
    cumene 133.82
    2-octanol 89.75
    2-hexanone 170.34
    octyl acetate 177.93
    limonene 323.69
    1,2-dimethoxyethane 231.47
    ethyl orthosilicate 130.08
    tributyl phosphate 107.0
    diacetone alcohol 125.8
    N,N-dimethylaniline 164.87
    acrylonitrile 112.14
    aniline 178.46
    1,3-propanediol 33.38
    bromobenzene 390.31
    dibromomethane 350.47
    1,1,2,2-tetrachloroethane 274.9
    2-methyl-cyclohexyl acetate 251.99
    tetrabutyl urea 141.63
    diisobutyl methanol 145.79
    2-phenylethanol 192.44
    styrene 206.6
    dioctyl adipate 168.9
    dimethyl sulfate 64.06
    ethyl butyrate 318.87
    methyl lactate 36.66
    butyl lactate 96.16
    diethyl carbonate 169.03
    propanediol butyl ether 72.5
    triethyl orthoformate 216.16
    p-tert-butyltoluene 217.73
    methyl 4-tert-butylbenzoate 195.14
    morpholine 458.24
    tert-butylamine 100.77
    n-dodecanol 82.54
    dimethoxymethane 198.98
    ethylene carbonate 149.38
    cyrene 111.65
    2-ethoxyethyl acetate 223.14
    2-ethylhexyl acetate 389.19
    1,2,4-trichlorobenzene 242.18
    4-methylpyridine 379.08
    dibutyl ether 309.42
    2,6-dimethyl-4-heptanol 145.79
    DEF 207.04
    dimethyl isosorbide 344.33
    tetrachloroethylene 189.96
    eugenol 138.62
    triacetin 187.43
    span 80 155.1
    1,4-butanediol 11.85
    1,1-dichloroethane 241.23
    2-methyl-1-pentanol 78.84
    methyl formate 38.35
    2-methyl-1-butanol 88.04
    n-decane 81.41
    butyronitrile 193.04
    3,7-dimethyl-1-octanol 145.72
    1-chlorooctane 187.41
    1-chlorotetradecane 82.44
    n-nonane 85.74
    undecane 59.36
    tert-butylcyclohexane 89.52
    cyclooctane 134.59
    cyclopentanol 124.23
    tetrahydropyran 709.61
    tert-amyl methyl ether 177.68
    2,5,8-trioxanonane 270.71
    1-hexene 238.7
    2-isopropoxyethanol 64.69
    2,2,2-trifluoroethanol 11.6
    methyl butyrate 169.22

    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