5,6,7,8-Tetrahydro-5,5,7,8,8-pentamethyl-2-naphthalenecarboxaldehyde

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  • Identifiers

    CAS number
    113221-73-1

    Molecular formula
    C16H22O

    SMILES
    CC1CC(C2=C(C1(C)C)C=C(C=C2)C=O)(C)C

    Safety labels

  • Odor profile

    Fragrance
    Sweet 58.19%
    Musk 52.72%
    Woody 51.08%
    Dry 41.47%
    Powdery 40.79%
    Amber 40.42%
    Herbal 35.65%
    Spicy 34.93%
    Tobacco 30.18%
    Animal 29.43%

     

    Flavor
    Woody 71.19%
    Camphor 50.43%
    Herbal 45.06%
    Phenolic 32.17%
    Spicy 30.55%
    Pine 28.92%
    Sweet 26.52%
    Dry 26.2%
    Tobacco 26.08%
    Spice 25.95%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.8

    pKa est.
    7.18 (neutral)

    Molecular weight
    230.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    312°C

    Flash point

    • 125.71 ˚C est.

  • Synonyms

    • 2-Naphthalenecarboxaldehyde, 5,6,7,8-tetrahydro-5,5,7,8,8-pentamethyl-
    • 234RB7A4FB
    • UNII-234RB7A4FB
    • DTXSID30888752
    • 5,6,7,8-Tetrahydro-5,5,7,8,8-pentamethyl-2-naphthalenecarboxaldehyde
    • RefChem:101091
    • DTXCID701028028
    • 113221-73-1
    • SCHEMBL5947552
    • IQAZVEUAPIOTDC-UHFFFAOYSA-N
    • 5,5,7,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde
    • NS00013222
    • Q27253710
    • 113221-73-1

  • Applications

    5,6,7,8-Tetrahydro-5,5,7,8,8-pentamethyl-2-naphthalenecarboxaldehyde (CAS 113221-73-1) is viewed as an aroma ingredient and a precursor in fragrance chemistry, with practical applications including serving as a fragrance component in perfumery and cosmetics, providing a scent in household and personal care products, acting as an aroma additive in polymer and coating systems, and functioning as a building block in the synthesis of specialty chemicals for coatings, inks, and packaging; use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 284.35
    methanol 242.72
    isopropanol 206.92
    water 0.26
    ethyl acetate 1383.16
    n-propanol 373.92
    acetone 1511.42
    n-butanol 268.8
    acetonitrile 996.09
    DMF 2326.27
    toluene 1263.87
    isobutanol 245.35
    1,4-dioxane 1607.08
    methyl acetate 1377.01
    THF 3642.34
    2-butanone 1734.88
    n-pentanol 166.9
    sec-butanol 247.41
    n-hexane 71.73
    ethylene glycol 48.15
    NMP 2279.57
    cyclohexane 135.19
    DMSO 1095.78
    n-butyl acetate 865.38
    n-octanol 131.07
    chloroform 3018.21
    n-propyl acetate 685.78
    acetic acid 215.85
    dichloromethane 3455.37
    cyclohexanone 2307.27
    propylene glycol 77.14
    isopropyl acetate 719.86
    DMAc 1334.68
    2-ethoxyethanol 327.85
    isopentanol 232.57
    n-heptane 42.37
    ethyl formate 701.27
    1,2-dichloroethane 2504.0
    n-hexanol 318.09
    2-methoxyethanol 566.47
    isobutyl acetate 388.06
    tetrachloromethane 488.09
    n-pentyl acetate 483.64
    transcutol 1134.2
    n-heptanol 152.02
    ethylbenzene 528.76
    MIBK 591.62
    2-propoxyethanol 667.8
    tert-butanol 254.24
    MTBE 615.81
    2-butoxyethanol 336.19
    propionic acid 406.15
    o-xylene 616.33
    formic acid 77.71
    diethyl ether 868.41
    m-xylene 713.62
    p-xylene 623.9
    chlorobenzene 1467.62
    dimethyl carbonate 622.38
    n-octane 19.04
    formamide 273.32
    cyclopentanone 3887.58
    2-pentanone 1303.52
    anisole 915.9
    cyclopentyl methyl ether 1507.65
    gamma-butyrolactone 3700.29
    1-methoxy-2-propanol 478.13
    pyridine 2162.16
    3-pentanone 1272.27
    furfural 2183.89
    n-dodecane 10.12
    diethylene glycol 300.91
    diisopropyl ether 259.29
    tert-amyl alcohol 249.62
    acetylacetone 1256.02
    n-hexadecane 13.39
    acetophenone 851.4
    methyl propionate 1371.72
    isopentyl acetate 652.77
    trichloroethylene 4502.49
    n-nonanol 115.67
    cyclohexanol 381.3
    benzyl alcohol 438.14
    2-ethylhexanol 209.55
    isooctanol 127.06
    dipropyl ether 379.14
    1,2-dichlorobenzene 1243.01
    ethyl lactate 240.43
    propylene carbonate 1363.15
    n-methylformamide 1120.59
    2-pentanol 197.28
    n-pentane 62.63
    1-propoxy-2-propanol 444.23
    1-methoxy-2-propyl acetate 852.44
    2-(2-methoxypropoxy) propanol 303.04
    mesitylene 383.15
    ε-caprolactone 1688.21
    p-cymene 241.02
    epichlorohydrin 3847.66
    1,1,1-trichloroethane 1980.96
    2-aminoethanol 124.48
    morpholine-4-carbaldehyde 1777.13
    sulfolane 2991.47
    2,2,4-trimethylpentane 36.56
    2-methyltetrahydrofuran 2221.71
    n-hexyl acetate 641.94
    isooctane 30.05
    2-(2-butoxyethoxy)ethanol 392.88
    sec-butyl acetate 471.1
    tert-butyl acetate 741.94
    decalin 81.95
    glycerin 102.12
    diglyme 972.11
    acrylic acid 353.31
    isopropyl myristate 188.42
    n-butyric acid 498.93
    acetyl acetate 662.28
    di(2-ethylhexyl) phthalate 171.95
    ethyl propionate 734.91
    nitromethane 1300.13
    1,2-diethoxyethane 583.88
    benzonitrile 942.0
    trioctyl phosphate 129.98
    1-bromopropane 1157.89
    gamma-valerolactone 3339.26
    n-decanol 79.87
    triethyl phosphate 245.04
    4-methyl-2-pentanol 132.33
    propionitrile 942.94
    vinylene carbonate 1157.6
    1,1,2-trichlorotrifluoroethane 1065.45
    DMS 799.77
    cumene 298.51
    2-octanol 106.63
    2-hexanone 684.21
    octyl acetate 248.26
    limonene 296.23
    1,2-dimethoxyethane 881.43
    ethyl orthosilicate 223.07
    tributyl phosphate 168.99
    diacetone alcohol 573.33
    N,N-dimethylaniline 546.04
    acrylonitrile 1272.51
    aniline 826.62
    1,3-propanediol 180.3
    bromobenzene 1739.78
    dibromomethane 2069.07
    1,1,2,2-tetrachloroethane 2665.85
    2-methyl-cyclohexyl acetate 415.92
    tetrabutyl urea 205.01
    diisobutyl methanol 132.19
    2-phenylethanol 525.64
    styrene 640.91
    dioctyl adipate 272.71
    dimethyl sulfate 958.96
    ethyl butyrate 554.95
    methyl lactate 340.04
    butyl lactate 304.8
    diethyl carbonate 378.48
    propanediol butyl ether 264.71
    triethyl orthoformate 334.97
    p-tert-butyltoluene 234.46
    methyl 4-tert-butylbenzoate 454.15
    morpholine 1763.3
    tert-butylamine 183.03
    n-dodecanol 56.5
    dimethoxymethane 1201.52
    ethylene carbonate 896.91
    cyrene 434.02
    2-ethoxyethyl acetate 768.47
    2-ethylhexyl acetate 565.79
    1,2,4-trichlorobenzene 1373.85
    4-methylpyridine 2342.16
    dibutyl ether 248.52
    2,6-dimethyl-4-heptanol 132.19
    DEF 1304.63
    dimethyl isosorbide 852.32
    tetrachloroethylene 1495.92
    eugenol 406.74
    triacetin 528.73
    span 80 263.07
    1,4-butanediol 71.5
    1,1-dichloroethane 2020.28
    2-methyl-1-pentanol 170.91
    methyl formate 925.1
    2-methyl-1-butanol 240.94
    n-decane 22.21
    butyronitrile 743.16
    3,7-dimethyl-1-octanol 138.69
    1-chlorooctane 161.38
    1-chlorotetradecane 46.46
    n-nonane 22.45
    undecane 14.51
    tert-butylcyclohexane 69.48
    cyclooctane 56.03
    cyclopentanol 511.2
    tetrahydropyran 1808.4
    tert-amyl methyl ether 478.4
    2,5,8-trioxanonane 502.29
    1-hexene 261.85
    2-isopropoxyethanol 253.59
    2,2,2-trifluoroethanol 170.23
    methyl butyrate 867.82

    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