6-tert-Butyltetralin

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  • Identifiers

    CAS number
    42044-26-8

    Molecular formula
    C14H20

    SMILES
    CC(C)(C)C1=CC2=C(CCCC2)C=C1

  • Odor profile

    Fragrance
    Woody 69.03%
    Spicy 44.71%
    Dry 43.24%
    Amber 35.2%
    Earthy 32.2%
    Leathery 31.57%
    Herbal 31.38%
    Musk 31.19%
    Sweet 30.73%
    Animal 30.6%

     

    Flavor
    Woody 36.89%
    Spice 30.44%
    Wood 29.6%
    Camphor 29.38%
    Pine 20.38%
    Creosote 20.17%
    Thymol 20.05%
    Styrene 20.04%
    Guaiacol 19.89%
    Opoponax 19.87%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    5.0

    pKa est.
    8.5 (weak base)

    Molecular weight
    188.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    271°C

    Flash point

    • 101.83 ˚C est.

  • Synonyms

    • 6-tert-Butyltetralin
    • 42044-26-8
    • Naphthalene, 6-(1,1-dimethylethyl)-1,2,3,4-tetrahydro-
    • DTXSID70311756
    • 6-tert-Butyl-(1,2,3,4-tetrahydronaphthalene)
    • 6-tert-Butyl-[1,2,3,4-tetrahydronaphthalene]
    • NSC245144
    • DTXCID20262880
    • NSC-245144
    • DS-009158
    • 6-tert-Butyl-[1,3,4-tetrahydronaphthalene]
    • Naphthalene,1-dimethylethyl)-1,2,3,4-tetrahydro-

  • Applications

    6-tert-Butyltetralin (CAS 42044-26-8) is used predominantly in perfumery as a fragrance fixative and aroma contributor, helping to extend fragrance longevity. In cosmetics and personal care, it may serve as a fragrance ingredient to impart woody and musky notes. In household products such as air fresheners, cleaners, and laundry detergents, it is included to provide a long-lasting scent. In industrial manufacturing, it is often used as an intermediate in the synthesis of fragrance-related compounds and related aromatic derivatives.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 99.2
    methanol 40.53
    isopropanol 102.35
    water 0.02
    ethyl acetate 551.13
    n-propanol 132.65
    acetone 379.94
    n-butanol 173.39
    acetonitrile 197.53
    DMF 354.27
    toluene 722.05
    isobutanol 116.27
    1,4-dioxane 952.02
    methyl acetate 392.96
    THF 1402.15
    2-butanone 475.15
    n-pentanol 125.35
    sec-butanol 130.44
    n-hexane 422.14
    ethylene glycol 7.37
    NMP 383.27
    cyclohexane 531.32
    DMSO 146.33
    n-butyl acetate 1174.28
    n-octanol 201.6
    chloroform 951.16
    n-propyl acetate 387.42
    acetic acid 58.58
    dichloromethane 890.51
    cyclohexanone 816.7
    propylene glycol 21.47
    isopropyl acetate 439.53
    DMAc 426.21
    2-ethoxyethanol 131.81
    isopentanol 187.05
    n-heptane 543.42
    ethyl formate 194.08
    1,2-dichloroethane 692.52
    n-hexanol 483.2
    2-methoxyethanol 152.2
    isobutyl acetate 392.09
    tetrachloromethane 222.1
    n-pentyl acetate 388.33
    transcutol 801.77
    n-heptanol 190.04
    ethylbenzene 439.66
    MIBK 400.43
    2-propoxyethanol 417.07
    tert-butanol 200.65
    MTBE 627.12
    2-butoxyethanol 223.51
    propionic acid 88.73
    o-xylene 410.63
    formic acid 6.15
    diethyl ether 716.9
    m-xylene 499.11
    p-xylene 519.17
    chlorobenzene 586.36
    dimethyl carbonate 180.75
    n-octane 161.79
    formamide 16.56
    cyclopentanone 828.26
    2-pentanone 491.81
    anisole 524.94
    cyclopentyl methyl ether 813.48
    gamma-butyrolactone 642.54
    1-methoxy-2-propanol 171.61
    pyridine 771.25
    3-pentanone 482.74
    furfural 417.27
    n-dodecane 99.96
    diethylene glycol 117.83
    diisopropyl ether 366.61
    tert-amyl alcohol 196.93
    acetylacetone 496.4
    n-hexadecane 120.18
    acetophenone 406.15
    methyl propionate 370.76
    isopentyl acetate 985.89
    trichloroethylene 1069.58
    n-nonanol 203.94
    cyclohexanol 247.18
    benzyl alcohol 193.43
    2-ethylhexanol 509.05
    isooctanol 177.83
    dipropyl ether 1224.76
    1,2-dichlorobenzene 512.52
    ethyl lactate 105.7
    propylene carbonate 422.82
    n-methylformamide 81.34
    2-pentanol 155.37
    n-pentane 231.61
    1-propoxy-2-propanol 448.63
    1-methoxy-2-propyl acetate 713.48
    2-(2-methoxypropoxy) propanol 282.75
    mesitylene 373.46
    ε-caprolactone 587.02
    p-cymene 398.64
    epichlorohydrin 784.37
    1,1,1-trichloroethane 751.51
    2-aminoethanol 22.18
    morpholine-4-carbaldehyde 488.01
    sulfolane 506.62
    2,2,4-trimethylpentane 112.48
    2-methyltetrahydrofuran 982.4
    n-hexyl acetate 547.58
    isooctane 107.6
    2-(2-butoxyethoxy)ethanol 354.84
    sec-butyl acetate 354.17
    tert-butyl acetate 537.71
    decalin 239.43
    glycerin 24.66
    diglyme 757.31
    acrylic acid 62.57
    isopropyl myristate 332.15
    n-butyric acid 207.29
    acetyl acetate 349.08
    di(2-ethylhexyl) phthalate 197.86
    ethyl propionate 380.72
    nitromethane 157.86
    1,2-diethoxyethane 886.78
    benzonitrile 344.72
    trioctyl phosphate 158.14
    1-bromopropane 707.18
    gamma-valerolactone 692.7
    n-decanol 172.51
    triethyl phosphate 263.36
    4-methyl-2-pentanol 144.74
    propionitrile 268.36
    vinylene carbonate 345.2
    1,1,2-trichlorotrifluoroethane 228.28
    DMS 398.01
    cumene 308.55
    2-octanol 147.61
    2-hexanone 423.0
    octyl acetate 350.51
    limonene 572.3
    1,2-dimethoxyethane 541.95
    ethyl orthosilicate 277.72
    tributyl phosphate 212.5
    diacetone alcohol 284.84
    N,N-dimethylaniline 388.59
    acrylonitrile 218.28
    aniline 329.2
    1,3-propanediol 55.71
    bromobenzene 816.03
    dibromomethane 683.77
    1,1,2,2-tetrachloroethane 846.01
    2-methyl-cyclohexyl acetate 516.42
    tetrabutyl urea 270.15
    diisobutyl methanol 296.91
    2-phenylethanol 354.03
    styrene 489.46
    dioctyl adipate 346.37
    dimethyl sulfate 201.88
    ethyl butyrate 752.88
    methyl lactate 90.59
    butyl lactate 193.59
    diethyl carbonate 420.68
    propanediol butyl ether 135.75
    triethyl orthoformate 497.48
    p-tert-butyltoluene 413.51
    methyl 4-tert-butylbenzoate 379.86
    morpholine 764.33
    tert-butylamine 204.57
    n-dodecanol 153.78
    dimethoxymethane 421.33
    ethylene carbonate 324.45
    cyrene 222.79
    2-ethoxyethyl acetate 446.44
    2-ethylhexyl acetate 915.22
    1,2,4-trichlorobenzene 532.38
    4-methylpyridine 768.58
    dibutyl ether 751.89
    2,6-dimethyl-4-heptanol 296.91
    DEF 462.77
    dimethyl isosorbide 654.75
    tetrachloroethylene 483.03
    eugenol 259.79
    triacetin 393.68
    span 80 266.14
    1,4-butanediol 24.01
    1,1-dichloroethane 624.68
    2-methyl-1-pentanol 165.39
    methyl formate 83.63
    2-methyl-1-butanol 161.7
    n-decane 174.36
    butyronitrile 335.7
    3,7-dimethyl-1-octanol 259.35
    1-chlorooctane 388.99
    1-chlorotetradecane 188.09
    n-nonane 188.24
    undecane 127.03
    tert-butylcyclohexane 220.77
    cyclooctane 270.54
    cyclopentanol 187.71
    tetrahydropyran 1214.72
    tert-amyl methyl ether 476.93
    2,5,8-trioxanonane 493.61
    1-hexene 646.23
    2-isopropoxyethanol 149.28
    2,2,2-trifluoroethanol 22.85
    methyl butyrate 429.2

    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