(1S,1aR,2S,4aR,5S,7aR)-Octahydro-2,5-dimethyl-1-(1-methylethenyl)-1H-cycloprop[d]indene

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  • Identifiers

    CAS number
    351413-96-2

    Molecular formula
    C15H24

    SMILES
    C[C@H]1CC[C@@H]2[C@H](CC[C@]23[C@H]1[C@H]3C(=C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 77.62%
    Herbal 45.5%
    Spicy 41.88%
    Sweet 37.7%
    Balsamic 37.38%
    Fresh 35.18%
    Citrus 35.02%
    Sandalwood 34.2%
    Green 33.65%
    Dry 33.52%

     

    Flavor
    Woody 55.03%
    Herb 47.06%
    Wood 45.5%
    Herbal 45.28%
    Fruity 38.03%
    Spice 30.76%
    Fruit 28.94%
    Citrus 27.08%
    Fir needle 26.16%
    Waxy 26.16%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.5

    pKa est.
    10.08 (weak base)

    Molecular weight
    204.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    264°C

    Flash point

    • 57.98 ˚C est.

  • Synonyms

    • DTXSID401125198
    • (1S,1aR,2S,4aR,5S,7aR)-Octahydro-2,5-dimethyl-1-(1-methylethenyl)-1H-cycloprop[d]indene
    • 351413-96-2
    • (1S,1aR,2S,4aR,5S,7aR)-2,5-Dimethyl-1-(prop-1-en-2-yl)octahydro-1H-cyclopropa[d]indene
    • 351413-96-2

  • Applications

    Identified by the name (1S,1aR,2S,4aR,5S,7aR)-Octahydro-2,5-dimethyl-1-(1-methylethenyl)-1H-cycloprop[d]indene and CAS 351413-96-2, this compound is typically treated as a specialty chemical with applications in fragrance and personal care, where it can serve as an odorant/fragrance component and as a precursor for the synthesis of aroma compounds and cosmetic formulations. In industry, it may function as a chemical synthesis intermediate or building block for specialty polymers and plastics, and it may be evaluated for use in household products such as air fresheners and cleaners due to its potential odor properties. Its use is contingent on local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 314.31
    methanol 158.94
    isopropanol 489.21
    water 0.29
    ethyl acetate 692.95
    n-propanol 413.79
    acetone 811.54
    n-butanol 466.77
    acetonitrile 394.93
    DMF 606.9
    toluene 883.65
    isobutanol 383.7
    1,4-dioxane 1585.49
    methyl acetate 559.91
    THF 2974.0
    2-butanone 744.82
    n-pentanol 229.17
    sec-butanol 373.1
    n-hexane 109.74
    ethylene glycol 42.17
    NMP 434.46
    cyclohexane 313.43
    DMSO 313.51
    n-butyl acetate 810.97
    n-octanol 260.94
    chloroform 1226.23
    n-propyl acetate 414.8
    acetic acid 144.95
    dichloromethane 1021.82
    cyclohexanone 1132.68
    propylene glycol 83.93
    isopropyl acetate 655.25
    DMAc 428.37
    2-ethoxyethanol 280.73
    isopentanol 442.53
    n-heptane 171.72
    ethyl formate 355.98
    1,2-dichloroethane 747.48
    n-hexanol 530.25
    2-methoxyethanol 469.39
    isobutyl acetate 394.17
    tetrachloromethane 308.46
    n-pentyl acetate 450.25
    transcutol 771.55
    n-heptanol 260.86
    ethylbenzene 350.41
    MIBK 599.4
    2-propoxyethanol 661.15
    tert-butanol 539.69
    MTBE 871.02
    2-butoxyethanol 376.0
    propionic acid 205.31
    o-xylene 423.21
    formic acid 24.72
    diethyl ether 836.24
    m-xylene 580.59
    p-xylene 445.52
    chlorobenzene 668.69
    dimethyl carbonate 255.29
    n-octane 72.18
    formamide 58.08
    cyclopentanone 1452.63
    2-pentanone 758.84
    anisole 545.68
    cyclopentyl methyl ether 1036.94
    gamma-butyrolactone 1156.75
    1-methoxy-2-propanol 490.67
    pyridine 1044.01
    3-pentanone 538.16
    furfural 653.49
    n-dodecane 57.96
    diethylene glycol 305.79
    diisopropyl ether 378.08
    tert-amyl alcohol 357.76
    acetylacetone 843.54
    n-hexadecane 69.76
    acetophenone 409.15
    methyl propionate 487.39
    isopentyl acetate 818.47
    trichloroethylene 1080.94
    n-nonanol 242.34
    cyclohexanol 504.55
    benzyl alcohol 331.11
    2-ethylhexanol 347.54
    isooctanol 235.32
    dipropyl ether 611.6
    1,2-dichlorobenzene 504.1
    ethyl lactate 175.05
    propylene carbonate 599.26
    n-methylformamide 230.95
    2-pentanol 357.25
    n-pentane 156.07
    1-propoxy-2-propanol 571.05
    1-methoxy-2-propyl acetate 754.48
    2-(2-methoxypropoxy) propanol 334.9
    mesitylene 397.51
    ε-caprolactone 819.91
    p-cymene 336.17
    epichlorohydrin 1241.36
    1,1,1-trichloroethane 811.64
    2-aminoethanol 106.64
    morpholine-4-carbaldehyde 670.87
    sulfolane 726.68
    2,2,4-trimethylpentane 79.49
    2-methyltetrahydrofuran 1479.94
    n-hexyl acetate 577.96
    isooctane 101.04
    2-(2-butoxyethoxy)ethanol 438.36
    sec-butyl acetate 359.4
    tert-butyl acetate 677.42
    decalin 118.97
    glycerin 94.72
    diglyme 863.66
    acrylic acid 141.31
    isopropyl myristate 295.72
    n-butyric acid 429.23
    acetyl acetate 449.89
    di(2-ethylhexyl) phthalate 210.46
    ethyl propionate 405.2
    nitromethane 315.14
    1,2-diethoxyethane 619.73
    benzonitrile 503.87
    trioctyl phosphate 176.82
    1-bromopropane 645.1
    gamma-valerolactone 1244.49
    n-decanol 187.32
    triethyl phosphate 236.39
    4-methyl-2-pentanol 282.35
    propionitrile 508.58
    vinylene carbonate 498.64
    1,1,2-trichlorotrifluoroethane 386.67
    DMS 409.75
    cumene 249.9
    2-octanol 201.61
    2-hexanone 445.73
    octyl acetate 314.44
    limonene 403.5
    1,2-dimethoxyethane 782.23
    ethyl orthosilicate 238.97
    tributyl phosphate 202.42
    diacetone alcohol 472.65
    N,N-dimethylaniline 307.99
    acrylonitrile 459.69
    aniline 527.31
    1,3-propanediol 250.11
    bromobenzene 805.53
    dibromomethane 786.26
    1,1,2,2-tetrachloroethane 816.24
    2-methyl-cyclohexyl acetate 414.48
    tetrabutyl urea 239.43
    diisobutyl methanol 292.46
    2-phenylethanol 493.53
    styrene 397.22
    dioctyl adipate 310.76
    dimethyl sulfate 252.26
    ethyl butyrate 550.29
    methyl lactate 177.58
    butyl lactate 269.19
    diethyl carbonate 339.79
    propanediol butyl ether 272.83
    triethyl orthoformate 389.17
    p-tert-butyltoluene 340.87
    methyl 4-tert-butylbenzoate 385.25
    morpholine 1287.02
    tert-butylamine 400.29
    n-dodecanol 150.71
    dimethoxymethane 762.11
    ethylene carbonate 508.94
    cyrene 279.31
    2-ethoxyethyl acetate 529.0
    2-ethylhexyl acetate 643.46
    1,2,4-trichlorobenzene 528.19
    4-methylpyridine 1018.68
    dibutyl ether 439.14
    2,6-dimethyl-4-heptanol 292.46
    DEF 520.5
    dimethyl isosorbide 654.14
    tetrachloroethylene 531.28
    eugenol 295.38
    triacetin 414.74
    span 80 304.6
    1,4-butanediol 95.74
    1,1-dichloroethane 798.27
    2-methyl-1-pentanol 227.94
    methyl formate 218.4
    2-methyl-1-butanol 351.26
    n-decane 97.12
    butyronitrile 601.75
    3,7-dimethyl-1-octanol 297.16
    1-chlorooctane 263.86
    1-chlorotetradecane 118.51
    n-nonane 95.52
    undecane 73.67
    tert-butylcyclohexane 114.71
    cyclooctane 143.11
    cyclopentanol 548.28
    tetrahydropyran 1654.82
    tert-amyl methyl ether 458.45
    2,5,8-trioxanonane 541.45
    1-hexene 261.95
    2-isopropoxyethanol 267.75
    2,2,2-trifluoroethanol 76.14
    methyl butyrate 473.9

    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