4-Methyl-6-(propan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-one

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    39694-89-8

    Molecular formula
    C14H18O

    SMILES
    CC1CCC(=O)C2=C1C=C(C=C2)C(C)C

  • Odor profile

    Fragrance
    Herbal 61.69%
    Spicy 56.35%
    Woody 53.39%
    Phenolic 43.06%
    Mint 37.31%
    Animal 35.65%
    Leathery 34.11%
    Camphoreous 31.44%
    Dry 31.19%
    Tobacco 28.9%

     

    Flavor
    Herbal 62.23%
    Woody 51.3%
    Bitter 38.41%
    Spicy 35.52%
    Spice 35.49%
    Medicinal 26.83%
    Camphor 25.46%
    Herb 24.81%
    Celery 24.34%
    Minty 23.09%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    8.5 (weak base)

    Molecular weight
    202.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    320°C

    Flash point

    • 122.72 ˚C est.

  • Synonyms

    • EN300-1456510
    • 4-methyl-6-(propan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-one
    • 2166716-59-0

  • Applications

    4-Methyl-6-(propan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-one (CAS 39694-89-8) is primarily used as an intermediate in organic synthesis, serving as a building block for pharmaceutical compounds. In fragrance and perfumery, it is employed as a precursor to aroma-active tetralone derivatives that contribute woody or spicy notes. In cosmetics and personal care, it may be used as an intermediate for fragrance formulations or functional ingredients. In industrial manufacturing, it serves as a versatile fine-chemical intermediate for the synthesis of specialty compounds and downstream chemicals, with uses governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 302.24
    methanol 249.36
    isopropanol 240.03
    water 0.12
    ethyl acetate 933.01
    n-propanol 345.41
    acetone 1075.06
    n-butanol 330.37
    acetonitrile 913.42
    DMF 1725.34
    toluene 1106.24
    isobutanol 251.66
    1,4-dioxane 1766.11
    methyl acetate 1025.61
    THF 1442.29
    2-butanone 1165.85
    n-pentanol 208.18
    sec-butanol 229.58
    n-hexane 54.98
    ethylene glycol 30.9
    NMP 1063.16
    cyclohexane 124.91
    DMSO 550.51
    n-butyl acetate 877.79
    n-octanol 124.88
    chloroform 3411.52
    n-propyl acetate 555.11
    acetic acid 226.03
    dichloromethane 3427.13
    cyclohexanone 1776.42
    propylene glycol 51.46
    isopropyl acetate 457.55
    DMAc 1015.58
    2-ethoxyethanol 269.35
    isopentanol 302.64
    n-heptane 25.98
    ethyl formate 548.62
    1,2-dichloroethane 2349.62
    n-hexanol 324.9
    2-methoxyethanol 442.35
    isobutyl acetate 344.86
    tetrachloromethane 394.1
    n-pentyl acetate 398.93
    transcutol 1441.79
    n-heptanol 145.19
    ethylbenzene 447.89
    MIBK 407.48
    2-propoxyethanol 507.76
    tert-butanol 277.66
    MTBE 519.29
    2-butoxyethanol 269.35
    propionic acid 302.3
    o-xylene 462.39
    formic acid 46.82
    diethyl ether 792.52
    m-xylene 520.35
    p-xylene 525.82
    chlorobenzene 1223.91
    dimethyl carbonate 312.27
    n-octane 13.92
    formamide 145.7
    cyclopentanone 1639.99
    2-pentanone 850.49
    anisole 735.36
    cyclopentyl methyl ether 662.57
    gamma-butyrolactone 1444.28
    1-methoxy-2-propanol 327.11
    pyridine 2147.79
    3-pentanone 757.55
    furfural 1254.69
    n-dodecane 10.47
    diethylene glycol 226.68
    diisopropyl ether 171.36
    tert-amyl alcohol 237.21
    acetylacetone 745.92
    n-hexadecane 13.45
    acetophenone 608.71
    methyl propionate 736.21
    isopentyl acetate 675.46
    trichloroethylene 4089.78
    n-nonanol 116.51
    cyclohexanol 371.89
    benzyl alcohol 455.68
    2-ethylhexanol 210.91
    isooctanol 128.57
    dipropyl ether 278.0
    1,2-dichlorobenzene 910.43
    ethyl lactate 160.88
    propylene carbonate 735.56
    n-methylformamide 561.68
    2-pentanol 192.0
    n-pentane 41.64
    1-propoxy-2-propanol 353.6
    1-methoxy-2-propyl acetate 561.19
    2-(2-methoxypropoxy) propanol 266.67
    mesitylene 267.72
    ε-caprolactone 1213.85
    p-cymene 177.6
    epichlorohydrin 1979.79
    1,1,1-trichloroethane 1560.66
    2-aminoethanol 88.84
    morpholine-4-carbaldehyde 1198.71
    sulfolane 984.35
    2,2,4-trimethylpentane 26.15
    2-methyltetrahydrofuran 1083.26
    n-hexyl acetate 511.09
    isooctane 21.69
    2-(2-butoxyethoxy)ethanol 377.38
    sec-butyl acetate 347.36
    tert-butyl acetate 427.2
    decalin 63.04
    glycerin 68.19
    diglyme 870.16
    acrylic acid 254.1
    isopropyl myristate 157.68
    n-butyric acid 475.62
    acetyl acetate 429.6
    di(2-ethylhexyl) phthalate 154.81
    ethyl propionate 451.05
    nitromethane 785.43
    1,2-diethoxyethane 656.84
    benzonitrile 894.03
    trioctyl phosphate 101.98
    1-bromopropane 946.7
    gamma-valerolactone 1796.06
    n-decanol 82.04
    triethyl phosphate 164.75
    4-methyl-2-pentanol 130.12
    propionitrile 818.23
    vinylene carbonate 819.58
    1,1,2-trichlorotrifluoroethane 724.33
    DMS 505.84
    cumene 224.65
    2-octanol 103.44
    2-hexanone 591.81
    octyl acetate 201.86
    limonene 218.42
    1,2-dimethoxyethane 863.94
    ethyl orthosilicate 160.8
    tributyl phosphate 141.49
    diacetone alcohol 350.89
    N,N-dimethylaniline 377.47
    acrylonitrile 1031.18
    aniline 829.85
    1,3-propanediol 166.46
    bromobenzene 1389.79
    dibromomethane 2022.94
    1,1,2,2-tetrachloroethane 2552.2
    2-methyl-cyclohexyl acetate 296.81
    tetrabutyl urea 181.14
    diisobutyl methanol 119.42
    2-phenylethanol 448.8
    styrene 623.16
    dioctyl adipate 226.4
    dimethyl sulfate 380.52
    ethyl butyrate 434.93
    methyl lactate 178.07
    butyl lactate 238.98
    diethyl carbonate 284.46
    propanediol butyl ether 218.49
    triethyl orthoformate 254.85
    p-tert-butyltoluene 162.75
    methyl 4-tert-butylbenzoate 328.47
    morpholine 1688.1
    tert-butylamine 198.52
    n-dodecanol 60.38
    dimethoxymethane 758.59
    ethylene carbonate 655.95
    cyrene 290.29
    2-ethoxyethyl acetate 573.72
    2-ethylhexyl acetate 546.56
    1,2,4-trichlorobenzene 1022.95
    4-methylpyridine 2232.11
    dibutyl ether 255.88
    2,6-dimethyl-4-heptanol 119.42
    DEF 997.66
    dimethyl isosorbide 540.7
    tetrachloroethylene 1500.37
    eugenol 318.21
    triacetin 396.44
    span 80 227.33
    1,4-butanediol 69.63
    1,1-dichloroethane 1859.3
    2-methyl-1-pentanol 227.62
    methyl formate 455.2
    2-methyl-1-butanol 266.76
    n-decane 19.73
    butyronitrile 728.74
    3,7-dimethyl-1-octanol 142.52
    1-chlorooctane 136.28
    1-chlorotetradecane 47.65
    n-nonane 18.46
    undecane 13.92
    tert-butylcyclohexane 54.84
    cyclooctane 38.19
    cyclopentanol 317.19
    tetrahydropyran 1587.22
    tert-amyl methyl ether 331.43
    2,5,8-trioxanonane 495.54
    1-hexene 264.3
    2-isopropoxyethanol 224.41
    2,2,2-trifluoroethanol 99.22
    methyl butyrate 642.08

    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

Botanical

Name CAS Botanical Proportion
Vassoura (Brazil) 3 Baccharis dracunculifolia DC., fam. Asteraceae (Compositae) 0.1%