1,2,3,4,5,6,7,8-Octahydro-8,8-dimethyl-2-naphthalenecarbonitrile

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  • Identifiers

    CAS number
    72928-51-9

    Molecular formula
    C13H19N

    SMILES
    CC1(CCCC2=C1CC(CC2)C#N)C

  • Odor profile

    Fragrance
    Woody 43.91%
    Citrus 40.52%
    Animal 37.23%
    Dry 36.83%
    Earthy 35.41%
    Amber 33.82%
    Spicy 33.23%
    Ozone 29.99%
    Musk 29.78%
    Floral 26.46%

     

    Flavor
    Woody 49.19%
    Wood 33.16%
    Spice 24.8%
    Fir needle 23.58%
    Bitter 23.11%
    Camphor 22.63%
    Herbal 22.54%
    Sandalwood 21.3%
    Sweet 20.71%
    Patchouli 20.69%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    9.3 (weak base)

    Molecular weight
    189.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    309°C

    Flash point

    • 120.46 ˚C est.

  • Synonyms

    • 72928-51-9
    • 2-Naphthalenecarbonitrile, 1,2,3,4,5,6,7,8-octahydro-8,8-dimethyl-
    • EB12VHM8TR
    • EINECS 277-081-6
    • 1,2,3,4,5,6,7,8-Octahydro-8,8-dimethyl-2-naphthonitrile
    • 1,2,3,4,5,6,7,8-Octahydro-8,8-dimethyl-2-naphthalenecarbonitrile
    • UNII-EB12VHM8TR
    • 8,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalene-2-carbonitrile
    • DTXSID40868207
    • 8,8-DIMETHYL-1,2,3,4,5,6,7,8-OCTAHYDRO-2-NAPHTHONITRILE
    • SCHEMBL3506598
    • DTXCID10816336
    • GYSKLORPARLOKC-UHFFFAOYSA-N
    • 1,2,3,4,5,6,7,8-Octahydro-8,8-dimethylnaphthalene-2-carbonitrile
    • NS00013060
    • Q27277080
    • 277-081-6

  • Applications

    1,2,3,4,5,6,7,8-Octahydro-8,8-dimethyl-2-naphthalenecarbonitrile (CAS 72928-51-9) is primarily used as an intermediate in fragrance chemistry and aroma ingredient development, serving as a building block for synthesizing fragrance compounds for perfumes and personal care products; it is also employed as a building block for pharmaceutical and agrochemical synthesis; it can act as a precursor for specialty polymers and plastics; it serves as a precursor for coatings and inks in the coatings and inks sector; and may be used as a versatile building block in research and development for specialty chemicals.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 223.87
    methanol 299.61
    isopropanol 135.45
    water 1.14
    ethyl acetate 1219.68
    n-propanol 222.31
    acetone 1733.99
    n-butanol 169.48
    acetonitrile 1119.07
    DMF 1729.39
    toluene 820.68
    isobutanol 129.84
    1,4-dioxane 1564.25
    methyl acetate 1212.72
    THF 2800.31
    2-butanone 1240.59
    n-pentanol 107.68
    sec-butanol 111.54
    n-hexane 24.43
    ethylene glycol 91.34
    NMP 2048.73
    cyclohexane 77.23
    DMSO 1982.09
    n-butyl acetate 758.52
    n-octanol 100.93
    chloroform 2489.43
    n-propyl acetate 568.41
    acetic acid 494.13
    dichloromethane 2964.81
    cyclohexanone 2001.22
    propylene glycol 78.31
    isopropyl acetate 630.25
    DMAc 926.98
    2-ethoxyethanol 283.49
    isopentanol 139.88
    n-heptane 24.09
    ethyl formate 729.75
    1,2-dichloroethane 1862.43
    n-hexanol 179.19
    2-methoxyethanol 553.27
    isobutyl acetate 302.66
    tetrachloromethane 362.81
    n-pentyl acetate 441.07
    transcutol 2152.9
    n-heptanol 97.15
    ethylbenzene 241.95
    MIBK 439.08
    2-propoxyethanol 488.66
    tert-butanol 152.42
    MTBE 279.15
    2-butoxyethanol 290.05
    propionic acid 440.16
    o-xylene 334.46
    formic acid 235.83
    diethyl ether 519.67
    m-xylene 386.62
    p-xylene 296.11
    chlorobenzene 1366.87
    dimethyl carbonate 692.28
    n-octane 8.72
    formamide 561.52
    cyclopentanone 3294.47
    2-pentanone 921.51
    anisole 662.18
    cyclopentyl methyl ether 920.46
    gamma-butyrolactone 3809.5
    1-methoxy-2-propanol 387.69
    pyridine 1944.51
    3-pentanone 859.96
    furfural 2765.17
    n-dodecane 6.9
    diethylene glycol 371.76
    diisopropyl ether 152.47
    tert-amyl alcohol 110.36
    acetylacetone 1611.56
    n-hexadecane 8.79
    acetophenone 659.56
    methyl propionate 1035.63
    isopentyl acetate 575.79
    trichloroethylene 4080.16
    n-nonanol 86.77
    cyclohexanol 230.45
    benzyl alcohol 338.57
    2-ethylhexanol 129.6
    isooctanol 79.35
    dipropyl ether 276.85
    1,2-dichlorobenzene 1196.21
    ethyl lactate 222.48
    propylene carbonate 1587.39
    n-methylformamide 1143.21
    2-pentanol 105.28
    n-pentane 23.55
    1-propoxy-2-propanol 343.6
    1-methoxy-2-propyl acetate 885.45
    2-(2-methoxypropoxy) propanol 331.1
    mesitylene 220.35
    ε-caprolactone 1512.17
    p-cymene 148.24
    epichlorohydrin 3221.28
    1,1,1-trichloroethane 1537.08
    2-aminoethanol 136.21
    morpholine-4-carbaldehyde 1816.57
    sulfolane 3365.56
    2,2,4-trimethylpentane 12.73
    2-methyltetrahydrofuran 1378.17
    n-hexyl acetate 590.59
    isooctane 12.5
    2-(2-butoxyethoxy)ethanol 502.58
    sec-butyl acetate 345.55
    tert-butyl acetate 611.03
    decalin 37.4
    glycerin 151.2
    diglyme 1240.5
    acrylic acid 492.47
    isopropyl myristate 172.89
    n-butyric acid 523.28
    acetyl acetate 1006.99
    di(2-ethylhexyl) phthalate 174.23
    ethyl propionate 524.85
    nitromethane 2558.11
    1,2-diethoxyethane 654.67
    benzonitrile 913.96
    trioctyl phosphate 121.1
    1-bromopropane 630.64
    gamma-valerolactone 3241.35
    n-decanol 61.03
    triethyl phosphate 228.51
    4-methyl-2-pentanol 75.83
    propionitrile 666.83
    vinylene carbonate 1538.96
    1,1,2-trichlorotrifluoroethane 1256.2
    DMS 861.45
    cumene 135.86
    2-octanol 64.34
    2-hexanone 491.31
    octyl acetate 221.77
    limonene 198.08
    1,2-dimethoxyethane 757.28
    ethyl orthosilicate 197.23
    tributyl phosphate 182.47
    diacetone alcohol 453.46
    N,N-dimethylaniline 310.98
    acrylonitrile 1119.35
    aniline 627.31
    1,3-propanediol 200.68
    bromobenzene 1597.04
    dibromomethane 1517.87
    1,1,2,2-tetrachloroethane 2223.2
    2-methyl-cyclohexyl acetate 330.62
    tetrabutyl urea 202.43
    diisobutyl methanol 82.21
    2-phenylethanol 388.64
    styrene 362.14
    dioctyl adipate 289.19
    dimethyl sulfate 1127.6
    ethyl butyrate 491.32
    methyl lactate 361.81
    butyl lactate 300.5
    diethyl carbonate 353.26
    propanediol butyl ether 280.74
    triethyl orthoformate 318.65
    p-tert-butyltoluene 145.81
    methyl 4-tert-butylbenzoate 419.57
    morpholine 1299.15
    tert-butylamine 90.27
    n-dodecanol 45.15
    dimethoxymethane 1052.34
    ethylene carbonate 1208.28
    cyrene 404.47
    2-ethoxyethyl acetate 880.75
    2-ethylhexyl acetate 467.64
    1,2,4-trichlorobenzene 1345.37
    4-methylpyridine 1637.87
    dibutyl ether 209.61
    2,6-dimethyl-4-heptanol 82.21
    DEF 856.18
    dimethyl isosorbide 941.35
    tetrachloroethylene 1360.49
    eugenol 394.32
    triacetin 678.1
    span 80 264.54
    1,4-butanediol 78.3
    1,1-dichloroethane 1400.68
    2-methyl-1-pentanol 96.8
    methyl formate 1113.39
    2-methyl-1-butanol 123.38
    n-decane 12.75
    butyronitrile 506.48
    3,7-dimethyl-1-octanol 107.49
    1-chlorooctane 107.5
    1-chlorotetradecane 33.98
    n-nonane 11.89
    undecane 9.09
    tert-butylcyclohexane 26.78
    cyclooctane 28.51
    cyclopentanol 345.25
    tetrahydropyran 1191.76
    tert-amyl methyl ether 197.12
    2,5,8-trioxanonane 660.59
    1-hexene 107.53
    2-isopropoxyethanol 208.17
    2,2,2-trifluoroethanol 326.88
    methyl butyrate 613.55

    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