Naphthalene, 1,2,3,4-tetrahydro-1,1,5,6-tetramethyl-

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  • Identifiers

    CAS number
    31197-54-3

    Molecular formula
    C14H20

    SMILES
    CC1=C(C2=C(C=C1)C(CCC2)(C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 55.75%
    Sweet 45.38%
    Musk 43.36%
    Dry 38.47%
    Spicy 36.48%
    Amber 34.11%
    Fruity 33.82%
    Leathery 30.88%
    Animal 29.79%
    Tobacco 29.4%

     

    Flavor
    Camphor 33.15%
    Woody 30.72%
    Dry 24.92%
    Plastic 22.12%
    Flat 21.62%
    Phenolic 21.56%
    Musty 21.5%
    Cedar 20.65%
    Guaiacol 20.52%
    Styrene 20.31%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.9

    pKa est.
    8.75 (weak base)

    Molecular weight
    188.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    258°C

    Flash point

    • 103.95 ˚C est.

  • Synonyms

    • Methylionene
    • 31197-54-3
    • Naphthalene, 1,2,3,4-tetrahydro-1,1,5,6-tetramethyl-
    • 1,2,3,4-Tetrahydro-1,1,5,6-tetramethylnaphthalene
    • 4,4,7,8-tetramethyl-2,3-dihydro-1H-naphthalene
    • 1,1,5,6-Tetramethyl-1,2,3,4-tetrahydronaphthalene
    • orb1682104
    • SCHEMBL29829305
    • DTXSID60185125
    • FXJRXZWVNPHANR-UHFFFAOYSA-N
    • GBA19754
    • AKOS026674273
    • 31197-54-3

  • Applications

    CAS 31197-54-3, Naphthalene, 1,2,3,4-tetrahydro-1,1,5,6-tetramethyl-, is a highly substituted hydrogenated naphthalene derivative that primarily serves as a synthetic intermediate and building block in organic chemistry. In industrial use it may be employed as a non-polar hydrocarbon intermediate for preparing more complex aromatic compounds, including fragrance oils and specialty chemicals. It can function as a fragrance odorant or fixative due to its bulky, saturated scaffold. It can also act as a processing aid or solvent-like diluent in formulations for coatings, inks, and adhesives. Additionally, it provides a bulky hydrocarbon backbone for polymer and plastics chemistry, supporting the synthesis of specialty monomers or additive packages. Use is formulation-dependent and subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 158.34
    methanol 82.6
    isopropanol 149.6
    water 0.06
    ethyl acetate 513.7
    n-propanol 192.56
    acetone 444.08
    n-butanol 219.43
    acetonitrile 299.28
    DMF 502.55
    toluene 734.96
    isobutanol 156.7
    1,4-dioxane 1158.38
    methyl acetate 415.63
    THF 1807.8
    2-butanone 541.41
    n-pentanol 156.83
    sec-butanol 154.16
    n-hexane 282.37
    ethylene glycol 10.12
    NMP 460.9
    cyclohexane 381.3
    DMSO 185.06
    n-butyl acetate 1226.6
    n-octanol 263.73
    chloroform 1008.07
    n-propyl acetate 392.99
    acetic acid 65.17
    dichloromethane 1082.59
    cyclohexanone 959.3
    propylene glycol 20.87
    isopropyl acetate 389.91
    DMAc 380.72
    2-ethoxyethanol 148.28
    isopentanol 198.97
    n-heptane 475.31
    ethyl formate 282.61
    1,2-dichloroethane 814.05
    n-hexanol 588.58
    2-methoxyethanol 183.51
    isobutyl acetate 354.25
    tetrachloromethane 300.66
    n-pentyl acetate 485.42
    transcutol 528.44
    n-heptanol 263.01
    ethylbenzene 435.54
    MIBK 382.62
    2-propoxyethanol 512.83
    tert-butanol 223.46
    MTBE 582.32
    2-butoxyethanol 251.53
    propionic acid 99.46
    o-xylene 431.76
    formic acid 8.65
    diethyl ether 736.8
    m-xylene 507.74
    p-xylene 538.82
    chlorobenzene 601.73
    dimethyl carbonate 172.26
    n-octane 164.38
    formamide 26.01
    cyclopentanone 1072.94
    2-pentanone 536.15
    anisole 512.86
    cyclopentyl methyl ether 823.96
    gamma-butyrolactone 846.75
    1-methoxy-2-propanol 190.2
    pyridine 850.94
    3-pentanone 486.58
    furfural 454.25
    n-dodecane 104.72
    diethylene glycol 133.08
    diisopropyl ether 317.23
    tert-amyl alcohol 195.36
    acetylacetone 452.36
    n-hexadecane 124.28
    acetophenone 378.98
    methyl propionate 370.07
    isopentyl acetate 930.38
    trichloroethylene 1053.84
    n-nonanol 241.91
    cyclohexanol 281.35
    benzyl alcohol 209.57
    2-ethylhexanol 480.54
    isooctanol 208.78
    dipropyl ether 1090.68
    1,2-dichlorobenzene 493.02
    ethyl lactate 104.01
    propylene carbonate 420.1
    n-methylformamide 155.85
    2-pentanol 166.86
    n-pentane 190.41
    1-propoxy-2-propanol 430.36
    1-methoxy-2-propyl acetate 608.2
    2-(2-methoxypropoxy) propanol 256.24
    mesitylene 371.27
    ε-caprolactone 669.32
    p-cymene 451.01
    epichlorohydrin 909.76
    1,1,1-trichloroethane 746.31
    2-aminoethanol 30.93
    morpholine-4-carbaldehyde 573.52
    sulfolane 559.53
    2,2,4-trimethylpentane 92.47
    2-methyltetrahydrofuran 1123.72
    n-hexyl acetate 607.57
    isooctane 91.09
    2-(2-butoxyethoxy)ethanol 315.33
    sec-butyl acetate 308.16
    tert-butyl acetate 450.84
    decalin 196.89
    glycerin 23.83
    diglyme 650.0
    acrylic acid 66.1
    isopropyl myristate 322.08
    n-butyric acid 218.24
    acetyl acetate 285.01
    di(2-ethylhexyl) phthalate 197.82
    ethyl propionate 360.85
    nitromethane 190.48
    1,2-diethoxyethane 789.25
    benzonitrile 389.99
    trioctyl phosphate 173.48
    1-bromopropane 751.6
    gamma-valerolactone 890.72
    n-decanol 198.28
    triethyl phosphate 239.88
    4-methyl-2-pentanol 137.46
    propionitrile 390.0
    vinylene carbonate 380.02
    1,1,2-trichlorotrifluoroethane 207.29
    DMS 394.85
    cumene 318.34
    2-octanol 203.55
    2-hexanone 443.64
    octyl acetate 356.22
    limonene 584.01
    1,2-dimethoxyethane 591.17
    ethyl orthosilicate 250.6
    tributyl phosphate 202.57
    diacetone alcohol 252.99
    N,N-dimethylaniline 389.05
    acrylonitrile 321.2
    aniline 318.97
    1,3-propanediol 70.93
    bromobenzene 826.38
    dibromomethane 859.36
    1,1,2,2-tetrachloroethane 731.42
    2-methyl-cyclohexyl acetate 461.0
    tetrabutyl urea 284.13
    diisobutyl methanol 258.51
    2-phenylethanol 401.63
    styrene 462.79
    dioctyl adipate 320.08
    dimethyl sulfate 187.93
    ethyl butyrate 692.1
    methyl lactate 82.03
    butyl lactate 197.19
    diethyl carbonate 377.78
    propanediol butyl ether 145.23
    triethyl orthoformate 411.95
    p-tert-butyltoluene 443.41
    methyl 4-tert-butylbenzoate 373.0
    morpholine 977.53
    tert-butylamine 204.54
    n-dodecanol 169.18
    dimethoxymethane 535.88
    ethylene carbonate 369.75
    cyrene 207.06
    2-ethoxyethyl acetate 490.08
    2-ethylhexyl acetate 885.08
    1,2,4-trichlorobenzene 475.48
    4-methylpyridine 832.72
    dibutyl ether 670.69
    2,6-dimethyl-4-heptanol 258.51
    DEF 492.59
    dimethyl isosorbide 583.42
    tetrachloroethylene 492.08
    eugenol 258.33
    triacetin 327.98
    span 80 232.34
    1,4-butanediol 32.76
    1,1-dichloroethane 692.26
    2-methyl-1-pentanol 164.01
    methyl formate 147.51
    2-methyl-1-butanol 172.39
    n-decane 177.52
    butyronitrile 489.44
    3,7-dimethyl-1-octanol 252.98
    1-chlorooctane 414.98
    1-chlorotetradecane 183.55
    n-nonane 189.95
    undecane 132.32
    tert-butylcyclohexane 190.85
    cyclooctane 200.44
    cyclopentanol 266.77
    tetrahydropyran 1399.0
    tert-amyl methyl ether 415.45
    2,5,8-trioxanonane 421.15
    1-hexene 528.77
    2-isopropoxyethanol 156.63
    2,2,2-trifluoroethanol 27.82
    methyl butyrate 428.56

    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