2,3,3a,4,5,7a-Hexahydro-1,1,2,3,3-pentamethyl-6-(2-propen-1-yl)-1H-indene

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  • Identifiers

    CAS number
    351343-77-6

    Molecular formula
    C17H28

    SMILES
    CC1C(C2CCC(=CC2C1(C)C)CC=C)(C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 83.44%
    Herbal 54.95%
    Sweet 54.78%
    Spicy 49.43%
    Green 41.86%
    Pine 41.34%
    Fresh 41.06%
    Terpenic 40.66%
    Dry 39.9%
    Citrus 39.85%

     

    Flavor
    Woody 78.14%
    Wood 54.74%
    Herbal 39.73%
    Spice 36.04%
    Green 35.87%
    Sweet 35.7%
    Citrus 34.34%
    Herb 34.31%
    Pine 30.2%
    Fresh 28.63%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.5

    pKa est.
    9.62 (weak base)

    Molecular weight
    232.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    283°C

    Flash point

    • 122.31 ˚C est.

  • Synonyms

    • N9NMT97JQN
    • UNII-N9NMT97JQN
    • 1H-Indene, 2,3,3a,4,5,7a-hexahydro-1,1,2,3,3-pentamethyl-6-(2-propenyl)-
    • 2,3,3a,4,5,7a-Hexahydro-1,1,2,3,3-pentamethyl-6-(2-propen-1-yl)-1H-indene
    • 1H-Indene, 2,3,3a,4,5,7a-hexahydro-1,1,2,3,3-pentamethyl-6-(2-propen-1-yl)-
    • DTXSID4051376
    • RefChem:81198
    • DTXCID5029978
    • 351343-77-6
    • IZJSQGHVYBMLTF-UHFFFAOYSA-N
    • 1,1,2,3,3-pentamethyl-6-(prop-2-en-1-yl)-2,3,3a,4,5,7a-hexahydro-1H-indene
    • DB-279266
    • Q27284744
    • 1H-Indene,2,3,3a,4,5,7a-hexahydro-1,1,2,3,3-pentamethyl-6-(2-propenyl)-
    • 351343-77-6

  • Applications

    2,3,3a,4,5,7a-Hexahydro-1,1,2,3,3-pentamethyl-6-(2-propen-1-yl)-1H-indene, CAS number: 351343-77-6, is used as an intermediate in fragrance chemistry to enable the synthesis of aroma compounds; its allyl substituent provides a reactive handle for polymerization, so it may serve as a crosslinkable monomer in coatings, adhesives, and specialty resins; the hydrophobic indane framework can support use as a fragrance fixative or odorant in perfumery formulations; it may also be explored as a building block in cosmetics/personal care formulations where fragrance components are needed; these applications are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 291.04
    methanol 135.9
    isopropanol 346.52
    water 0.37
    ethyl acetate 836.59
    n-propanol 376.85
    acetone 610.69
    n-butanol 474.7
    acetonitrile 345.67
    DMF 597.97
    toluene 1540.2
    isobutanol 378.03
    1,4-dioxane 1443.37
    methyl acetate 515.42
    THF 2439.92
    2-butanone 675.64
    n-pentanol 244.97
    sec-butanol 357.05
    n-hexane 352.87
    ethylene glycol 21.44
    NMP 631.55
    cyclohexane 768.61
    DMSO 205.76
    n-butyl acetate 919.6
    n-octanol 299.95
    chloroform 1251.28
    n-propyl acetate 441.03
    acetic acid 155.49
    dichloromethane 941.81
    cyclohexanone 1243.87
    propylene glycol 50.13
    isopropyl acetate 811.43
    DMAc 565.81
    2-ethoxyethanol 243.81
    isopentanol 538.06
    n-heptane 345.7
    ethyl formate 257.43
    1,2-dichloroethane 744.0
    n-hexanol 656.86
    2-methoxyethanol 376.44
    isobutyl acetate 421.58
    tetrachloromethane 438.45
    n-pentyl acetate 551.81
    transcutol 1315.16
    n-heptanol 335.27
    ethylbenzene 565.15
    MIBK 689.09
    2-propoxyethanol 706.32
    tert-butanol 520.86
    MTBE 1190.09
    2-butoxyethanol 411.28
    propionic acid 180.0
    o-xylene 753.61
    formic acid 28.87
    diethyl ether 1205.24
    m-xylene 1105.12
    p-xylene 693.56
    chlorobenzene 823.1
    dimethyl carbonate 328.4
    n-octane 123.02
    formamide 59.86
    cyclopentanone 1187.17
    2-pentanone 761.8
    anisole 678.33
    cyclopentyl methyl ether 1477.45
    gamma-butyrolactone 961.62
    1-methoxy-2-propanol 472.12
    pyridine 1062.2
    3-pentanone 684.64
    furfural 620.07
    n-dodecane 66.03
    diethylene glycol 266.87
    diisopropyl ether 724.93
    tert-amyl alcohol 452.83
    acetylacetone 788.03
    n-hexadecane 80.21
    acetophenone 487.37
    methyl propionate 563.5
    isopentyl acetate 1008.7
    trichloroethylene 1156.04
    n-nonanol 288.2
    cyclohexanol 628.29
    benzyl alcohol 310.55
    2-ethylhexanol 529.51
    isooctanol 321.26
    dipropyl ether 982.9
    1,2-dichlorobenzene 685.74
    ethyl lactate 162.67
    propylene carbonate 584.76
    n-methylformamide 178.66
    2-pentanol 438.1
    n-pentane 413.57
    1-propoxy-2-propanol 669.49
    1-methoxy-2-propyl acetate 928.9
    2-(2-methoxypropoxy) propanol 422.79
    mesitylene 740.58
    ε-caprolactone 936.11
    p-cymene 466.7
    epichlorohydrin 1047.05
    1,1,1-trichloroethane 1001.97
    2-aminoethanol 74.0
    morpholine-4-carbaldehyde 791.06
    sulfolane 681.64
    2,2,4-trimethylpentane 209.52
    2-methyltetrahydrofuran 1663.76
    n-hexyl acetate 715.46
    isooctane 214.04
    2-(2-butoxyethoxy)ethanol 537.67
    sec-butyl acetate 469.42
    tert-butyl acetate 929.75
    decalin 271.53
    glycerin 72.4
    diglyme 1032.47
    acrylic acid 124.67
    isopropyl myristate 349.46
    n-butyric acid 426.36
    acetyl acetate 537.33
    di(2-ethylhexyl) phthalate 249.29
    ethyl propionate 462.78
    nitromethane 273.71
    1,2-diethoxyethane 905.43
    benzonitrile 485.27
    trioctyl phosphate 202.06
    1-bromopropane 824.81
    gamma-valerolactone 1174.71
    n-decanol 212.26
    triethyl phosphate 308.23
    4-methyl-2-pentanol 391.71
    propionitrile 447.35
    vinylene carbonate 512.56
    1,1,2-trichlorotrifluoroethane 408.36
    DMS 509.05
    cumene 383.11
    2-octanol 249.87
    2-hexanone 453.06
    octyl acetate 363.01
    limonene 605.26
    1,2-dimethoxyethane 693.57
    ethyl orthosilicate 333.49
    tributyl phosphate 240.09
    diacetone alcohol 561.92
    N,N-dimethylaniline 495.37
    acrylonitrile 351.41
    aniline 715.37
    1,3-propanediol 176.3
    bromobenzene 1028.74
    dibromomethane 774.19
    1,1,2,2-tetrachloroethane 964.8
    2-methyl-cyclohexyl acetate 567.26
    tetrabutyl urea 281.31
    diisobutyl methanol 374.6
    2-phenylethanol 548.65
    styrene 573.82
    dioctyl adipate 362.84
    dimethyl sulfate 327.57
    ethyl butyrate 642.31
    methyl lactate 196.94
    butyl lactate 303.97
    diethyl carbonate 415.92
    propanediol butyl ether 267.43
    triethyl orthoformate 539.98
    p-tert-butyltoluene 503.47
    methyl 4-tert-butylbenzoate 560.43
    morpholine 1340.33
    tert-butylamine 552.19
    n-dodecanol 164.21
    dimethoxymethane 823.95
    ethylene carbonate 502.11
    cyrene 307.67
    2-ethoxyethyl acetate 658.4
    2-ethylhexyl acetate 877.95
    1,2,4-trichlorobenzene 734.14
    4-methylpyridine 1171.25
    dibutyl ether 634.46
    2,6-dimethyl-4-heptanol 374.6
    DEF 681.04
    dimethyl isosorbide 855.83
    tetrachloroethylene 649.07
    eugenol 395.72
    triacetin 499.22
    span 80 381.65
    1,4-butanediol 54.32
    1,1-dichloroethane 843.53
    2-methyl-1-pentanol 288.45
    methyl formate 157.25
    2-methyl-1-butanol 473.85
    n-decane 129.78
    butyronitrile 539.25
    3,7-dimethyl-1-octanol 382.47
    1-chlorooctane 348.56
    1-chlorotetradecane 148.12
    n-nonane 132.34
    undecane 88.16
    tert-butylcyclohexane 250.91
    cyclooctane 382.88
    cyclopentanol 478.74
    tetrahydropyran 1992.06
    tert-amyl methyl ether 830.7
    2,5,8-trioxanonane 632.93
    1-hexene 541.95
    2-isopropoxyethanol 246.16
    2,2,2-trifluoroethanol 80.46
    methyl butyrate 471.15

    Scent© AI

1 4

IFRA standard 51

Recommendation
Restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0.17 % Category 7A
Rinse-off products applied to the hair with some hand contact
 1.9 %
Category 2
Products applied to the axillae
 0.05 % Category 7B
Leave-on products applied to the hair with some hand contact
 1.9 %
Category 3
Products applied to the face/body using fingertips
 1 % Category 8
Products with significant anogenital exposure
 0.08 %
Category 4
Products related to fine fragrance
 0.94 % Category 9
Products with body and hand exposure, primarily rinse off
 1.8 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 0.24 % Category 10A
Household care products with mostly hand contact
 4.1 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 0.24 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 6.6 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0.24 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 0.08 %
Category 5D
Baby Creams, baby Oils and baby talc
 0.08 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 0.08 %
Category 6
Products with oral and lip exposure
 0.56 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction