1H-Indenecarboxaldehyde, 2,3,3a,4,5,6-hexahydro-1,3,3-trimethyl-

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  • Identifiers

    CAS number
    94406-15-2

    Molecular formula
    C13H20O

    SMILES
    CC1(CC(C2=CCCCC21)(C)C=O)C

  • Odor profile

    Fragrance
    Woody 55.48%
    Herbal 44.49%
    Citrus 37.58%
    Fresh 37.45%
    Amber 36.55%
    Green 36.28%
    Aldehydic 34.91%
    Dry 34.88%
    Ozone 34.66%
    Spicy 31.56%

     

    Flavor
    Woody 60.03%
    Sweet 48.26%
    Camphor 41.14%
    Herbal 40.64%
    Fruity 38.53%
    Spicy 36.42%
    Dry 30.23%
    Fresh 29.7%
    Minty 29.45%
    Pine 29.42%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    8.17 (weak base)

    Molecular weight
    192.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    258°C

    Flash point

    • 126.88 ˚C est.

  • Synonyms

    • EINECS 305-303-4
    • 94406-15-2
    • 1H-Indenecarboxaldehyde, 2,3,3a,4,5,6-hexahydro-1,3,3-trimethyl-
    • 3a,4,5,6-Tetrahydro-1,3,3-trimethylindancarbaldehyde
    • DTXSID30915552
    • GHHCTCHDGTWLFZ-UHFFFAOYSA-N
    • NS00066284
    • 1,3,3-Trimethyl-2,3,3a,4,5,6-hexahydro-1H-indene-1-carbaldehyde

  • Applications

    1H-Indenecarboxaldehyde, 2,3,3a,4,5,6-hexahydro-1,3,3-trimethyl- (CAS 94406-15-2) is primarily used as a fragrance ingredient/odorant and as an intermediate in aroma-chemical synthesis. In perfumery, it contributes to scent profiles in fragrance formulations. It is commonly evaluated for cosmetic and personal-care formulations to provide fragrance, and for household products such as air fresheners and cleaners as a scent additive. In industrial manufacturing, it serves as an intermediate for the synthesis of aroma compounds. It may also be used as a fragrance additive in coatings and inks.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 467.71
    methanol 531.81
    isopropanol 426.14
    water 2.21
    ethyl acetate 815.32
    n-propanol 451.33
    acetone 900.47
    n-butanol 440.62
    acetonitrile 878.83
    DMF 947.68
    toluene 907.42
    isobutanol 348.74
    1,4-dioxane 1310.73
    methyl acetate 701.81
    THF 2177.63
    2-butanone 749.62
    n-pentanol 191.23
    sec-butanol 282.7
    n-hexane 52.81
    ethylene glycol 113.08
    NMP 712.97
    cyclohexane 145.98
    DMSO 454.11
    n-butyl acetate 499.14
    n-octanol 179.5
    chloroform 1795.73
    n-propyl acetate 325.95
    acetic acid 327.41
    dichloromethane 1547.86
    cyclohexanone 1098.12
    propylene glycol 125.89
    isopropyl acetate 565.8
    DMAc 471.29
    2-ethoxyethanol 298.07
    isopentanol 383.24
    n-heptane 50.7
    ethyl formate 469.7
    1,2-dichloroethane 1090.27
    n-hexanol 431.54
    2-methoxyethanol 633.01
    isobutyl acetate 257.83
    tetrachloromethane 363.99
    n-pentyl acetate 312.52
    transcutol 957.63
    n-heptanol 194.05
    ethylbenzene 295.8
    MIBK 479.95
    2-propoxyethanol 684.4
    tert-butanol 418.41
    MTBE 513.32
    2-butoxyethanol 346.03
    propionic acid 322.57
    o-xylene 388.29
    formic acid 136.85
    diethyl ether 662.17
    m-xylene 605.12
    p-xylene 332.43
    chlorobenzene 817.64
    dimethyl carbonate 336.52
    n-octane 25.16
    formamide 207.84
    cyclopentanone 1415.67
    2-pentanone 712.43
    anisole 496.66
    cyclopentyl methyl ether 933.65
    gamma-butyrolactone 1323.35
    1-methoxy-2-propanol 557.61
    pyridine 1056.5
    3-pentanone 519.32
    furfural 913.9
    n-dodecane 19.66
    diethylene glycol 432.72
    diisopropyl ether 241.84
    tert-amyl alcohol 264.42
    acetylacetone 706.47
    n-hexadecane 23.48
    acetophenone 371.66
    methyl propionate 617.03
    isopentyl acetate 459.35
    trichloroethylene 1742.78
    n-nonanol 150.02
    cyclohexanol 454.71
    benzyl alcohol 309.82
    2-ethylhexanol 218.79
    isooctanol 156.05
    dipropyl ether 280.18
    1,2-dichlorobenzene 613.6
    ethyl lactate 161.96
    propylene carbonate 675.7
    n-methylformamide 554.09
    2-pentanol 283.33
    n-pentane 80.1
    1-propoxy-2-propanol 408.65
    1-methoxy-2-propyl acetate 549.39
    2-(2-methoxypropoxy) propanol 260.17
    mesitylene 347.97
    ε-caprolactone 823.01
    p-cymene 179.15
    epichlorohydrin 1524.31
    1,1,1-trichloroethane 1035.32
    2-aminoethanol 206.33
    morpholine-4-carbaldehyde 806.13
    sulfolane 901.96
    2,2,4-trimethylpentane 39.09
    2-methyltetrahydrofuran 1138.9
    n-hexyl acetate 432.25
    isooctane 46.24
    2-(2-butoxyethoxy)ethanol 372.59
    sec-butyl acetate 268.71
    tert-butyl acetate 499.37
    decalin 66.31
    glycerin 187.06
    diglyme 699.55
    acrylic acid 284.33
    isopropyl myristate 157.84
    n-butyric acid 527.43
    acetyl acetate 469.51
    di(2-ethylhexyl) phthalate 142.63
    ethyl propionate 334.96
    nitromethane 717.36
    1,2-diethoxyethane 392.5
    benzonitrile 613.43
    trioctyl phosphate 109.96
    1-bromopropane 701.29
    gamma-valerolactone 1297.52
    n-decanol 109.69
    triethyl phosphate 135.61
    4-methyl-2-pentanol 212.59
    propionitrile 769.59
    vinylene carbonate 624.51
    1,1,2-trichlorotrifluoroethane 550.95
    DMS 411.39
    cumene 189.89
    2-octanol 131.86
    2-hexanone 316.85
    octyl acetate 186.39
    limonene 220.72
    1,2-dimethoxyethane 548.18
    ethyl orthosilicate 136.9
    tributyl phosphate 132.21
    diacetone alcohol 433.9
    N,N-dimethylaniline 276.31
    acrylonitrile 845.46
    aniline 600.07
    1,3-propanediol 324.44
    bromobenzene 897.7
    dibromomethane 1018.12
    1,1,2,2-tetrachloroethane 1142.15
    2-methyl-cyclohexyl acetate 239.93
    tetrabutyl urea 152.9
    diisobutyl methanol 141.21
    2-phenylethanol 409.01
    styrene 354.0
    dioctyl adipate 177.25
    dimethyl sulfate 377.79
    ethyl butyrate 311.37
    methyl lactate 243.56
    butyl lactate 209.97
    diethyl carbonate 203.62
    propanediol butyl ether 251.92
    triethyl orthoformate 203.5
    p-tert-butyltoluene 182.0
    methyl 4-tert-butylbenzoate 330.01
    morpholine 1210.8
    tert-butylamine 295.29
    n-dodecanol 83.82
    dimethoxymethane 848.47
    ethylene carbonate 565.01
    cyrene 238.54
    2-ethoxyethyl acetate 441.56
    2-ethylhexyl acetate 341.75
    1,2,4-trichlorobenzene 636.17
    4-methylpyridine 1075.61
    dibutyl ether 198.3
    2,6-dimethyl-4-heptanol 141.21
    DEF 545.63
    dimethyl isosorbide 486.44
    tetrachloroethylene 782.73
    eugenol 298.21
    triacetin 302.32
    span 80 225.27
    1,4-butanediol 103.81
    1,1-dichloroethane 1122.47
    2-methyl-1-pentanol 181.84
    methyl formate 497.17
    2-methyl-1-butanol 307.8
    n-decane 34.27
    butyronitrile 759.68
    3,7-dimethyl-1-octanol 176.78
    1-chlorooctane 160.39
    1-chlorotetradecane 62.12
    n-nonane 33.96
    undecane 25.19
    tert-butylcyclohexane 58.12
    cyclooctane 60.12
    cyclopentanol 463.06
    tetrahydropyran 1232.84
    tert-amyl methyl ether 306.55
    2,5,8-trioxanonane 403.28
    1-hexene 178.31
    2-isopropoxyethanol 231.74
    2,2,2-trifluoroethanol 186.55
    methyl butyrate 380.81

    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