2,3-Naphthalenedione, 1,4-dihydro-1,1,4,4-tetramethyl-

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  • Identifiers

    CAS number
    17471-49-7

    Molecular formula
    C14H16O2

    SMILES
    CC1(C2=CC=CC=C2C(C(=O)C1=O)(C)C)C

  • Odor profile

    Sweet 65.88%
    Tobacco 44.01%
    Woody 37.37%
    Herbal 35.6%
    Camphoreous 35.25%
    Phenolic 34.84%
    Powdery 33.54%
    Hay 33.1%
    Honey 32.35%
    Caramellic 31.75%

    Scent© AI

  • Properties

    XLogP3-AA
    2.7

    Molecular weight
    216.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    297°C

    Flash point est.
    135.3 ˚C

  • Synonyms

    • 2,3-Naphthalenedione, 1,4-dihydro-1,1,4,4-tetramethyl-
    • 17471-49-7
    • 1,1,4,4-tetramethylnaphthalene-2,3-dione
    • DTXSID20343401
    • 1,1,4,4-Tetramethyl-2,3-tetralindione
    • SCHEMBL10758620
    • DTXCID40294481
    • MJHPJDOKQOLLMJ-UHFFFAOYSA-N
    • 1,1,4,4-tetramethyltetralin-2,3-dione
    • 1,4-Dihydro-1,1,4,4-tetramethyl-2,3-naphthalenedione
    • 1,1,4,4-Tetramethyl-1,4-dihydro-2,3-naphthalenedione #

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 111.05
    methanol 146.44
    isopropanol 100.6
    water 5.7
    ethyl acetate 631.01
    n-propanol 111.49
    acetone 753.44
    n-butanol 102.48
    acetonitrile 541.13
    DMF 1423.93
    toluene 538.14
    isobutanol 90.21
    1,4-dioxane 1162.44
    methyl acetate 693.57
    THF 1420.61
    2-butanone 602.94
    n-pentanol 90.52
    sec-butanol 100.52
    n-hexane 57.7
    ethylene glycol 60.44
    NMP 1197.48
    cyclohexane 109.8
    DMSO 522.14
    n-butyl acetate 371.22
    n-octanol 102.68
    chloroform 1752.34
    n-propyl acetate 342.25
    acetic acid 202.37
    dichloromethane 1667.14
    cyclohexanone 1080.99
    propylene glycol 42.44
    isopropyl acetate 394.68
    DMAc 873.87
    2-ethoxyethanol 221.88
    isopentanol 98.55
    n-heptane 42.8
    ethyl formate 457.73
    1,2-dichloroethane 1208.04
    n-hexanol 145.67
    2-methoxyethanol 387.47
    isobutyl acetate 198.45
    tetrachloromethane 408.23
    n-pentyl acetate 279.94
    transcutol 258.53
    n-heptanol 98.8
    ethylbenzene 273.96
    MIBK 304.28
    2-propoxyethanol 304.72
    tert-butanol 135.06
    MTBE 256.4
    2-butoxyethanol 186.49
    propionic acid 218.56
    o-xylene 333.58
    formic acid 113.65
    diethyl ether 378.93
    m-xylene 376.57
    p-xylene 368.86
    chlorobenzene 714.0
    dimethyl carbonate 494.76
    n-octane 33.48
    formamide 276.75
    cyclopentanone 1539.81
    2-pentanone 516.99
    anisole 407.9
    cyclopentyl methyl ether 657.28
    gamma-butyrolactone 1771.64
    1-methoxy-2-propanol 278.01
    pyridine 1018.14
    3-pentanone 554.94
    furfural 1321.68
    n-dodecane 21.96
    diethylene glycol 223.56
    diisopropyl ether 151.52
    tert-amyl alcohol 124.34
    acetylacetone 771.78
    n-hexadecane 27.26
    acetophenone 443.57
    methyl propionate 615.09
    isopentyl acetate 290.88
    trichloroethylene 2304.28
    n-nonanol 94.31
    cyclohexanol 197.07
    benzyl alcohol 248.63
    2-ethylhexanol 104.79
    isooctanol 81.58
    dipropyl ether 189.48
    1,2-dichlorobenzene 696.09
    ethyl lactate 156.99
    propylene carbonate 795.1
    n-methylformamide 649.63
    2-pentanol 95.91
    n-pentane 47.28
    1-propoxy-2-propanol 190.8
    1-methoxy-2-propyl acetate 373.28
    2-(2-methoxypropoxy) propanol 136.85
    mesitylene 251.11
    ε-caprolactone 847.55
    p-cymene 144.34
    epichlorohydrin 1656.18
    1,1,1-trichloroethane 1174.08
    2-aminoethanol 71.65
    morpholine-4-carbaldehyde 1200.65
    sulfolane 1356.92
    2,2,4-trimethylpentane 28.99
    2-methyltetrahydrofuran 821.85
    n-hexyl acetate 341.51
    isooctane 24.66
    2-(2-butoxyethoxy)ethanol 177.61
    sec-butyl acetate 220.79
    tert-butyl acetate 379.08
    decalin 65.58
    glycerin 93.58
    diglyme 486.22
    acrylic acid 244.32
    isopropyl myristate 125.83
    n-butyric acid 271.38
    acetyl acetate 523.08
    di(2-ethylhexyl) phthalate 103.22
    ethyl propionate 366.98
    nitromethane 929.42
    1,2-diethoxyethane 249.95
    benzonitrile 491.0
    trioctyl phosphate 86.93
    1-bromopropane 455.71
    gamma-valerolactone 1648.24
    n-decanol 71.86
    triethyl phosphate 156.79
    4-methyl-2-pentanol 73.43
    propionitrile 404.95
    vinylene carbonate 874.7
    1,1,2-trichlorotrifluoroethane 643.19
    DMS 475.08
    cumene 164.03
    2-octanol 92.08
    2-hexanone 316.85
    octyl acetate 160.09
    limonene 166.53
    1,2-dimethoxyethane 593.69
    ethyl orthosilicate 138.55
    tributyl phosphate 102.53
    diacetone alcohol 281.11
    N,N-dimethylaniline 287.26
    acrylonitrile 643.08
    aniline 359.3
    1,3-propanediol 124.53
    bromobenzene 851.35
    dibromomethane 1008.88
    1,1,2,2-tetrachloroethane 1457.42
    2-methyl-cyclohexyl acetate 207.69
    tetrabutyl urea 149.91
    diisobutyl methanol 74.74
    2-phenylethanol 253.51
    styrene 306.26
    dioctyl adipate 160.13
    dimethyl sulfate 754.0
    ethyl butyrate 280.13
    methyl lactate 242.78
    butyl lactate 160.19
    diethyl carbonate 214.75
    propanediol butyl ether 120.28
    triethyl orthoformate 182.3
    p-tert-butyltoluene 146.73
    methyl 4-tert-butylbenzoate 290.94
    morpholine 926.69
    tert-butylamine 96.65
    n-dodecanol 55.55
    dimethoxymethane 859.09
    ethylene carbonate 694.95
    cyrene 262.03
    2-ethoxyethyl acetate 371.32
    2-ethylhexyl acetate 259.31
    1,2,4-trichlorobenzene 681.54
    4-methylpyridine 942.56
    dibutyl ether 162.24
    2,6-dimethyl-4-heptanol 74.74
    DEF 663.89
    dimethyl isosorbide 432.65
    tetrachloroethylene 1133.0
    eugenol 247.15
    triacetin 287.18
    span 80 129.05
    1,4-butanediol 67.92
    1,1-dichloroethane 935.14
    2-methyl-1-pentanol 87.57
    methyl formate 763.77
    2-methyl-1-butanol 93.25
    n-decane 39.12
    butyronitrile 324.53
    3,7-dimethyl-1-octanol 84.26
    1-chlorooctane 132.16
    1-chlorotetradecane 55.62
    n-nonane 38.78
    undecane 28.84
    tert-butylcyclohexane 53.66
    cyclooctane 53.69
    cyclopentanol 258.62
    tetrahydropyran 749.45
    tert-amyl methyl ether 219.48
    2,5,8-trioxanonane 269.26
    1-hexene 137.23
    2-isopropoxyethanol 154.08
    2,2,2-trifluoroethanol 214.11
    methyl butyrate 444.18

    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
Calamus (China) 1c root 8015-79-0 Acorus calamus L., fam. Araceae 0.59%
Calamus (China) 1b rhizome 8015-79-0 Acorus calamus L., fam. Araceae 0.23%