1H-Indene, octahydro-1,1,2,3,3-pentamethyl-

Overview IFRA Request a quote

  • Identifiers

    CAS number
    33704-60-8

    Molecular formula
    C14H26

    SMILES
    CC1C(C2CCCCC2C1(C)C)(C)C

  • Odor profile

    Fragrance
    Woody 82.52%
    Sweet 52.72%
    Dry 51.03%
    Pine 46.04%
    Amber 44.44%
    Camphoreous 44.11%
    Fresh 41.26%
    Cedar 39.51%
    Herbal 39.22%
    Spicy 38.52%

     

    Flavor
    Woody 64.73%
    Sweet 62.98%
    Camphor 51.71%
    Pine 47.45%
    Dry 41.72%
    Balsam 30.99%
    Earthy 30.06%
    Medical 28.94%
    Herbal 28.53%
    Fresh 28.44%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    5.6

    pKa est.
    9.82 (weak base)

    Molecular weight
    194.36 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    241°C

    Flash point

    • 97.2 ˚C est.

  • Synonyms

    • 33704-60-8
    • 1H-Indene, octahydro-1,1,2,3,3-pentamethyl-
    • Octahydro-1,1,2,3,3-pentamethyl-1H-indene
    • EINECS 251-648-8
    • 1,1,2,3,3-pentamethyl-3a,4,5,6,7,7a-hexahydro-2H-indene
    • DTXSID30865684
    • hexahydro-1,1,2,3,3-pentamethylindane
    • octahydropentamethyl indene
    • DTXCID60814064
    • AKOS006327283
    • NS00010117
    • 251-648-8

  • Applications

    1H-Indene, octahydro-1,1,2,3,3-pentamethyl- (CAS 33704-60-8) is a bulky, fully saturated bicyclic hydrocarbon typically used as an organic synthesis intermediate and building block for specialty chemicals. In industry, it is often evaluated as a precursor for fragrance and flavor chemistry, potentially serving as an aroma-chemical scaffold or a fragrance fixative. It may be employed as a hydrocarbon solvent or diluent in processing, and can appear as a component or intermediate in polymer and plastics formulations, for example as a bulky monomer modifier or crosslinking aid. It is also used as a research reagent in developing and screening new synthetic routes, and may find utility in coatings and inks as a tackifier or reactive intermediate. Its use is generally subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 333.27
    methanol 284.4
    isopropanol 376.86
    water 1.71
    ethyl acetate 932.54
    n-propanol 443.81
    acetone 876.07
    n-butanol 458.66
    acetonitrile 683.66
    DMF 960.48
    toluene 1264.45
    isobutanol 440.12
    1,4-dioxane 1869.93
    methyl acetate 785.49
    THF 3248.74
    2-butanone 847.61
    n-pentanol 271.86
    sec-butanol 382.33
    n-hexane 456.55
    ethylene glycol 61.96
    NMP 1146.71
    cyclohexane 827.62
    DMSO 447.4
    n-butyl acetate 1213.82
    n-octanol 454.03
    chloroform 1735.77
    n-propyl acetate 571.02
    acetic acid 229.18
    dichloromethane 1483.78
    cyclohexanone 1741.51
    propylene glycol 95.53
    isopropyl acetate 879.32
    DMAc 711.3
    2-ethoxyethanol 299.82
    isopentanol 461.13
    n-heptane 565.66
    ethyl formate 478.04
    1,2-dichloroethane 1170.78
    n-hexanol 772.64
    2-methoxyethanol 485.98
    isobutyl acetate 571.89
    tetrachloromethane 737.26
    n-pentyl acetate 753.71
    transcutol 863.81
    n-heptanol 472.52
    ethylbenzene 575.64
    MIBK 732.2
    2-propoxyethanol 883.02
    tert-butanol 524.87
    MTBE 1029.5
    2-butoxyethanol 533.02
    propionic acid 340.12
    o-xylene 762.46
    formic acid 59.59
    diethyl ether 1131.82
    m-xylene 1012.24
    p-xylene 764.35
    chlorobenzene 1122.69
    dimethyl carbonate 465.6
    n-octane 246.59
    formamide 114.74
    cyclopentanone 2023.65
    2-pentanone 844.18
    anisole 748.59
    cyclopentyl methyl ether 1753.69
    gamma-butyrolactone 1894.79
    1-methoxy-2-propanol 522.01
    pyridine 1242.03
    3-pentanone 791.65
    furfural 1112.82
    n-dodecane 142.77
    diethylene glycol 387.71
    diisopropyl ether 740.34
    tert-amyl alcohol 444.38
    acetylacetone 970.14
    n-hexadecane 169.35
    acetophenone 575.91
    methyl propionate 757.09
    isopentyl acetate 1173.47
    trichloroethylene 1623.47
    n-nonanol 410.55
    cyclohexanol 761.61
    benzyl alcohol 369.35
    2-ethylhexanol 655.69
    isooctanol 419.35
    dipropyl ether 1239.27
    1,2-dichlorobenzene 974.89
    ethyl lactate 251.22
    propylene carbonate 1073.03
    n-methylformamide 415.67
    2-pentanol 422.83
    n-pentane 451.14
    1-propoxy-2-propanol 792.08
    1-methoxy-2-propyl acetate 1083.21
    2-(2-methoxypropoxy) propanol 431.65
    mesitylene 804.02
    ε-caprolactone 1355.08
    p-cymene 625.36
    epichlorohydrin 1646.78
    1,1,1-trichloroethane 1437.71
    2-aminoethanol 137.32
    morpholine-4-carbaldehyde 1100.54
    sulfolane 1604.14
    2,2,4-trimethylpentane 241.82
    2-methyltetrahydrofuran 1940.65
    n-hexyl acetate 944.54
    isooctane 243.69
    2-(2-butoxyethoxy)ethanol 516.81
    sec-butyl acetate 539.76
    tert-butyl acetate 1081.67
    decalin 368.79
    glycerin 132.17
    diglyme 1104.63
    acrylic acid 244.56
    isopropyl myristate 480.65
    n-butyric acid 557.09
    acetyl acetate 683.25
    di(2-ethylhexyl) phthalate 298.57
    ethyl propionate 609.54
    nitromethane 569.52
    1,2-diethoxyethane 900.32
    benzonitrile 688.45
    trioctyl phosphate 289.41
    1-bromopropane 1003.9
    gamma-valerolactone 1812.61
    n-decanol 302.38
    triethyl phosphate 418.35
    4-methyl-2-pentanol 354.6
    propionitrile 803.09
    vinylene carbonate 876.79
    1,1,2-trichlorotrifluoroethane 631.19
    DMS 725.92
    cumene 444.6
    2-octanol 375.08
    2-hexanone 599.4
    octyl acetate 499.73
    limonene 853.3
    1,2-dimethoxyethane 888.56
    ethyl orthosilicate 446.17
    tributyl phosphate 337.53
    diacetone alcohol 617.47
    N,N-dimethylaniline 541.42
    acrylonitrile 737.36
    aniline 741.33
    1,3-propanediol 233.31
    bromobenzene 1345.19
    dibromomethane 1198.04
    1,1,2,2-tetrachloroethane 1363.82
    2-methyl-cyclohexyl acetate 743.24
    tetrabutyl urea 413.6
    diisobutyl methanol 481.88
    2-phenylethanol 648.2
    styrene 630.76
    dioctyl adipate 469.08
    dimethyl sulfate 574.17
    ethyl butyrate 847.56
    methyl lactate 305.53
    butyl lactate 426.49
    diethyl carbonate 560.77
    propanediol butyl ether 322.98
    triethyl orthoformate 701.78
    p-tert-butyltoluene 666.49
    methyl 4-tert-butylbenzoate 706.23
    morpholine 1556.22
    tert-butylamine 520.32
    n-dodecanol 238.81
    dimethoxymethane 976.86
    ethylene carbonate 867.24
    cyrene 378.13
    2-ethoxyethyl acetate 742.58
    2-ethylhexyl acetate 1086.87
    1,2,4-trichlorobenzene 985.39
    4-methylpyridine 1294.27
    dibutyl ether 869.08
    2,6-dimethyl-4-heptanol 481.88
    DEF 811.13
    dimethyl isosorbide 1011.72
    tetrachloroethylene 1029.71
    eugenol 470.93
    triacetin 591.06
    span 80 416.01
    1,4-butanediol 98.15
    1,1-dichloroethane 1140.89
    2-methyl-1-pentanol 273.83
    methyl formate 417.18
    2-methyl-1-butanol 429.19
    n-decane 257.91
    butyronitrile 789.18
    3,7-dimethyl-1-octanol 474.54
    1-chlorooctane 596.13
    1-chlorotetradecane 250.01
    n-nonane 284.84
    undecane 184.91
    tert-butylcyclohexane 338.2
    cyclooctane 496.66
    cyclopentanol 744.59
    tetrahydropyran 1999.66
    tert-amyl methyl ether 776.53
    2,5,8-trioxanonane 681.59
    1-hexene 657.81
    2-isopropoxyethanol 292.93
    2,2,2-trifluoroethanol 163.67
    methyl butyrate 676.66

    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