(4S)-3,4-Dihydro-4,7-dimethyl-1(2H)-naphthalenone

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  • Identifiers

    CAS number
    155748-76-8

    Molecular formula
    C12H14O

    SMILES
    C[C@H]1CCC(=O)C2=C1C=CC(=C2)C

    Safety labels

  • Odor profile

    Fragrance
    Floral 40.61%
    Animal 40.13%
    Sweet 38.12%
    Phenolic 37.65%
    Herbal 37.49%
    Hay 35.5%
    Tobacco 34.5%
    Woody 34.17%
    Coumarinic 32.88%
    Powdery 32.3%

     

    Flavor
    Bitter 40.59%
    Herbal 31.17%
    Minty 28.31%
    Woody 27.69%
    Phenolic 27.55%
    Medicinal 25.92%
    Spicy 24.27%
    Coumarin 22.68%
    Animal 22.38%
    Tonka 21.91%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    7.93 (neutral)

    Molecular weight
    174.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    295°C

    Flash point

    • 114.45 ˚C est.

  • Synonyms

    • 155748-76-8
    • RefChem:209218
    • (4S)-3,4-Dihydro-4,7-dimethyl-1(2H)-naphthalenone
    • (S)-4,7-Dimethyl-3,4-dihydronaphthalen-1(2H)-one
    • (4S)-4,7-Dimethyl-1,2,3,4-tetrahydronaphthalen-1-one
    • (s)-4,7-dimethyl-1-tetralone
    • DTXSID601233674
    • (4S)-4,7-Dimethyl-3,4-dihydronaphthalen-1(2H)-one
    • 155748-76-8

  • Applications

    (4S)-3,4-Dihydro-4,7-dimethyl-1(2H)-naphthalenone (CAS 155748-76-8) is commonly used as an odorant/fragrance ingredient in perfumery and cosmetics; acts as an intermediate in organic synthesis; may be evaluated for flavor/aroma formulations in the food sector; is employed as a fragrance additive in industrial manufacturing, including household products, and for coatings and inks.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 131.79
    methanol 107.66
    isopropanol 122.87
    water 0.45
    ethyl acetate 216.16
    n-propanol 139.83
    acetone 266.12
    n-butanol 139.2
    acetonitrile 239.42
    DMF 571.39
    toluene 286.66
    isobutanol 107.85
    1,4-dioxane 528.16
    methyl acetate 282.63
    THF 430.24
    2-butanone 325.28
    n-pentanol 99.97
    sec-butanol 102.07
    n-hexane 13.5
    ethylene glycol 31.75
    NMP 276.84
    cyclohexane 32.8
    DMSO 208.45
    n-butyl acetate 264.1
    n-octanol 97.27
    chloroform 1043.03
    n-propyl acetate 160.61
    acetic acid 93.16
    dichloromethane 1003.08
    cyclohexanone 447.91
    propylene glycol 35.87
    isopropyl acetate 117.51
    DMAc 326.51
    2-ethoxyethanol 125.8
    isopentanol 121.0
    n-heptane 22.47
    ethyl formate 213.31
    1,2-dichloroethane 559.42
    n-hexanol 177.01
    2-methoxyethanol 197.07
    isobutyl acetate 114.83
    tetrachloromethane 120.07
    n-pentyl acetate 149.91
    transcutol 363.39
    n-heptanol 96.32
    ethylbenzene 162.98
    MIBK 132.0
    2-propoxyethanol 240.19
    tert-butanol 126.25
    MTBE 133.14
    2-butoxyethanol 141.49
    propionic acid 118.75
    o-xylene 177.06
    formic acid 25.43
    diethyl ether 156.63
    m-xylene 183.55
    p-xylene 189.68
    chlorobenzene 338.63
    dimethyl carbonate 103.62
    n-octane 14.76
    formamide 61.65
    cyclopentanone 420.28
    2-pentanone 222.94
    anisole 246.39
    cyclopentyl methyl ether 166.19
    gamma-butyrolactone 388.15
    1-methoxy-2-propanol 150.19
    pyridine 582.06
    3-pentanone 192.47
    furfural 441.76
    n-dodecane 14.52
    diethylene glycol 151.99
    diisopropyl ether 47.58
    tert-amyl alcohol 105.02
    acetylacetone 211.76
    n-hexadecane 17.12
    acetophenone 222.22
    methyl propionate 188.91
    isopentyl acetate 212.72
    trichloroethylene 996.73
    n-nonanol 88.86
    cyclohexanol 133.59
    benzyl alcohol 185.96
    2-ethylhexanol 123.03
    isooctanol 79.77
    dipropyl ether 116.66
    1,2-dichlorobenzene 293.38
    ethyl lactate 80.05
    propylene carbonate 249.3
    n-methylformamide 210.91
    2-pentanol 81.29
    n-pentane 14.26
    1-propoxy-2-propanol 166.59
    1-methoxy-2-propyl acetate 205.34
    2-(2-methoxypropoxy) propanol 147.4
    mesitylene 108.82
    ε-caprolactone 330.97
    p-cymene 105.03
    epichlorohydrin 550.3
    1,1,1-trichloroethane 407.64
    2-aminoethanol 60.35
    morpholine-4-carbaldehyde 392.09
    sulfolane 291.16
    2,2,4-trimethylpentane 10.87
    2-methyltetrahydrofuran 264.04
    n-hexyl acetate 202.17
    isooctane 10.78
    2-(2-butoxyethoxy)ethanol 179.63
    sec-butyl acetate 111.08
    tert-butyl acetate 120.4
    decalin 25.64
    glycerin 50.96
    diglyme 328.72
    acrylic acid 103.96
    isopropyl myristate 86.05
    n-butyric acid 159.42
    acetyl acetate 125.39
    di(2-ethylhexyl) phthalate 88.32
    ethyl propionate 140.2
    nitromethane 244.35
    1,2-diethoxyethane 207.1
    benzonitrile 323.84
    trioctyl phosphate 62.28
    1-bromopropane 269.82
    gamma-valerolactone 509.97
    n-decanol 72.05
    triethyl phosphate 85.97
    4-methyl-2-pentanol 60.61
    propionitrile 259.39
    vinylene carbonate 298.53
    1,1,2-trichlorotrifluoroethane 217.52
    DMS 183.68
    cumene 104.43
    2-octanol 72.0
    2-hexanone 172.91
    octyl acetate 108.58
    limonene 122.44
    1,2-dimethoxyethane 282.86
    ethyl orthosilicate 79.06
    tributyl phosphate 71.11
    diacetone alcohol 140.12
    N,N-dimethylaniline 159.03
    acrylonitrile 350.79
    aniline 223.44
    1,3-propanediol 104.19
    bromobenzene 378.21
    dibromomethane 609.03
    1,1,2,2-tetrachloroethane 618.59
    2-methyl-cyclohexyl acetate 136.28
    tetrabutyl urea 102.67
    diisobutyl methanol 70.8
    2-phenylethanol 223.61
    styrene 186.94
    dioctyl adipate 108.99
    dimethyl sulfate 132.65
    ethyl butyrate 162.34
    methyl lactate 80.14
    butyl lactate 103.8
    diethyl carbonate 127.93
    propanediol butyl ether 112.9
    triethyl orthoformate 104.8
    p-tert-butyltoluene 92.35
    methyl 4-tert-butylbenzoate 174.51
    morpholine 444.18
    tert-butylamine 83.54
    n-dodecanol 58.89
    dimethoxymethane 249.73
    ethylene carbonate 238.19
    cyrene 142.33
    2-ethoxyethyl acetate 202.24
    2-ethylhexyl acetate 180.73
    1,2,4-trichlorobenzene 309.11
    4-methylpyridine 506.41
    dibutyl ether 108.39
    2,6-dimethyl-4-heptanol 70.8
    DEF 225.97
    dimethyl isosorbide 241.85
    tetrachloroethylene 371.36
    eugenol 166.79
    triacetin 165.3
    span 80 121.82
    1,4-butanediol 52.66
    1,1-dichloroethane 470.18
    2-methyl-1-pentanol 102.72
    methyl formate 190.84
    2-methyl-1-butanol 110.11
    n-decane 21.52
    butyronitrile 241.44
    3,7-dimethyl-1-octanol 95.83
    1-chlorooctane 86.85
    1-chlorotetradecane 41.67
    n-nonane 19.84
    undecane 17.45
    tert-butylcyclohexane 23.51
    cyclooctane 13.42
    cyclopentanol 127.14
    tetrahydropyran 368.59
    tert-amyl methyl ether 98.98
    2,5,8-trioxanonane 238.3
    1-hexene 68.84
    2-isopropoxyethanol 108.72
    2,2,2-trifluoroethanol 49.59
    methyl butyrate 195.89

    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