rel-(+)-(3aR,6aR)-Hexahydro-1,1-dimethyl-4-methylene-1H-cyclopenta(c)furan

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  • Identifiers

    CAS number
    19901-95-2

    Molecular formula
    C10H16O

    SMILES
    CC1([C@@H]2CCC(=C)[C@@H]2CO1)C

    Safety labels

  • Odor profile

    Fragrance
    Herbal 75.25%
    Woody 68.99%
    Mint 60.2%
    Fresh 59.41%
    Spicy 54.48%
    Camphoreous 53.74%
    Green 49.32%
    Cooling 44.08%
    Terpenic 43.1%
    Citrus 42.41%

     

    Flavor
    Woody 45.91%
    Minty 37.93%
    Herbal 37.59%
    Mint 37.38%
    Fruity 35.64%
    Herb 34.55%
    Spice 33.84%
    Wood 33.53%
    Spicy 30.99%
    Green 30.18%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    9.49 (weak base)

    Molecular weight
    152.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    194°C

    Flash point

    • 54.69 ˚C est.

  • Synonyms

    • 19901-95-2
    • rel-(+)-(3aR,6aR)-Hexahydro-1,1-dimethyl-4-methylene-1H-cyclopenta[c]furan
    • rel-(+)-(3aR,6aR)-Hexahydro-1,1-dimethyl-4-methylene-1H-cyclopenta(c)furan
    • RefChem:379016
    • DTXSID001145667
    • (3aR,6aR)-1,1-Dimethyl-4-methylidenehexahydro-1H-cyclopenta[c]furan
    • 19901-95-2

  • Applications

    rel-(+)-(3aR,6aR)-Hexahydro-1,1-dimethyl-4-methylene-1H-cyclopenta(c)furan (CAS 19901-95-2) is primarily used as a chiral building block and intermediate in the synthesis of specialty chemicals, including pharmaceutical and agrochemical candidates; it is often evaluated for fragrance-related applications as a precursor to aroma compounds or as a fixed component in perfumery; in cosmetics and personal care, it may be employed as a fragrance-related intermediate; in polymer and plastics chemistry, it can serve as a reactive building block or functionalized precursor for niche polymers; and in coatings, inks and adhesives, it may be incorporated as a specialty intermediate for formulation development.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1782.53
    methanol 2067.55
    isopropanol 1856.22
    water 37.03
    ethyl acetate 1819.96
    n-propanol 1678.45
    acetone 1959.66
    n-butanol 1504.09
    acetonitrile 2218.89
    DMF 1915.69
    toluene 1101.62
    isobutanol 1360.35
    1,4-dioxane 3177.51
    methyl acetate 1756.08
    THF 3172.17
    2-butanone 1558.36
    n-pentanol 872.93
    sec-butanol 1375.97
    n-hexane 252.33
    ethylene glycol 642.44
    NMP 1037.01
    cyclohexane 407.31
    DMSO 1292.37
    n-butyl acetate 909.16
    n-octanol 665.35
    chloroform 6262.45
    n-propyl acetate 807.12
    acetic acid 1128.49
    dichloromethane 4489.64
    cyclohexanone 1584.6
    propylene glycol 911.09
    isopropyl acetate 1272.4
    DMAc 1363.36
    2-ethoxyethanol 1385.52
    isopentanol 1253.79
    n-heptane 199.28
    ethyl formate 1081.41
    1,2-dichloroethane 2055.03
    n-hexanol 1156.57
    2-methoxyethanol 2241.13
    isobutyl acetate 607.83
    tetrachloromethane 1366.85
    n-pentyl acetate 634.59
    transcutol 3168.76
    n-heptanol 601.35
    ethylbenzene 543.11
    MIBK 996.41
    2-propoxyethanol 1954.4
    tert-butanol 1916.56
    MTBE 1555.04
    2-butoxyethanol 1017.99
    propionic acid 1148.87
    o-xylene 675.11
    formic acid 598.49
    diethyl ether 1567.36
    m-xylene 807.66
    p-xylene 724.53
    chlorobenzene 1373.66
    dimethyl carbonate 745.48
    n-octane 107.03
    formamide 907.54
    cyclopentanone 1846.23
    2-pentanone 1309.5
    anisole 1194.33
    cyclopentyl methyl ether 1445.9
    gamma-butyrolactone 1930.46
    1-methoxy-2-propanol 1961.13
    pyridine 1905.07
    3-pentanone 1016.72
    furfural 1843.32
    n-dodecane 102.38
    diethylene glycol 1428.4
    diisopropyl ether 641.06
    tert-amyl alcohol 1221.01
    acetylacetone 1607.77
    n-hexadecane 114.61
    acetophenone 821.88
    methyl propionate 1240.98
    isopentyl acetate 855.68
    trichloroethylene 3422.37
    n-nonanol 573.18
    cyclohexanol 1138.7
    benzyl alcohol 837.68
    2-ethylhexanol 580.59
    isooctanol 487.49
    dipropyl ether 800.11
    1,2-dichlorobenzene 1205.45
    ethyl lactate 492.55
    propylene carbonate 1148.01
    n-methylformamide 1211.77
    2-pentanol 1073.91
    n-pentane 326.58
    1-propoxy-2-propanol 1251.45
    1-methoxy-2-propyl acetate 1140.03
    2-(2-methoxypropoxy) propanol 804.55
    mesitylene 545.69
    ε-caprolactone 1408.69
    p-cymene 365.36
    epichlorohydrin 2553.7
    1,1,1-trichloroethane 2694.5
    2-aminoethanol 1117.12
    morpholine-4-carbaldehyde 1731.27
    sulfolane 1421.87
    2,2,4-trimethylpentane 157.32
    2-methyltetrahydrofuran 2104.26
    n-hexyl acetate 977.34
    isooctane 167.69
    2-(2-butoxyethoxy)ethanol 1157.63
    sec-butyl acetate 660.53
    tert-butyl acetate 1143.39
    decalin 195.02
    glycerin 1004.14
    diglyme 2187.38
    acrylic acid 913.69
    isopropyl myristate 430.28
    n-butyric acid 1423.94
    acetyl acetate 1235.51
    di(2-ethylhexyl) phthalate 325.73
    ethyl propionate 831.76
    nitromethane 2080.57
    1,2-diethoxyethane 1219.6
    benzonitrile 1135.61
    trioctyl phosphate 250.97
    1-bromopropane 1527.4
    gamma-valerolactone 2247.1
    n-decanol 413.54
    triethyl phosphate 335.84
    4-methyl-2-pentanol 728.51
    propionitrile 1691.53
    vinylene carbonate 1206.17
    1,1,2-trichlorotrifluoroethane 1607.06
    DMS 807.26
    cumene 417.26
    2-octanol 447.93
    2-hexanone 796.81
    octyl acetate 496.35
    limonene 465.03
    1,2-dimethoxyethane 1990.43
    ethyl orthosilicate 340.25
    tributyl phosphate 311.73
    diacetone alcohol 1092.47
    N,N-dimethylaniline 671.81
    acrylonitrile 1712.95
    aniline 1247.9
    1,3-propanediol 1323.53
    bromobenzene 1516.42
    dibromomethane 2748.49
    1,1,2,2-tetrachloroethane 2879.67
    2-methyl-cyclohexyl acetate 495.57
    tetrabutyl urea 351.7
    diisobutyl methanol 426.53
    2-phenylethanol 853.18
    styrene 672.54
    dioctyl adipate 467.43
    dimethyl sulfate 810.15
    ethyl butyrate 695.73
    methyl lactate 749.83
    butyl lactate 487.12
    diethyl carbonate 493.37
    propanediol butyl ether 864.03
    triethyl orthoformate 505.69
    p-tert-butyltoluene 376.38
    methyl 4-tert-butylbenzoate 720.67
    morpholine 2836.71
    tert-butylamine 1412.26
    n-dodecanol 318.43
    dimethoxymethane 1776.65
    ethylene carbonate 1104.31
    cyrene 558.38
    2-ethoxyethyl acetate 935.22
    2-ethylhexyl acetate 630.25
    1,2,4-trichlorobenzene 1256.83
    4-methylpyridine 1812.32
    dibutyl ether 725.91
    2,6-dimethyl-4-heptanol 426.53
    DEF 1063.42
    dimethyl isosorbide 1140.8
    tetrachloroethylene 1992.64
    eugenol 704.62
    triacetin 841.28
    span 80 659.27
    1,4-butanediol 588.58
    1,1-dichloroethane 2944.89
    2-methyl-1-pentanol 711.16
    methyl formate 1052.93
    2-methyl-1-butanol 1092.87
    n-decane 160.55
    butyronitrile 1512.73
    3,7-dimethyl-1-octanol 643.17
    1-chlorooctane 484.69
    1-chlorotetradecane 220.05
    n-nonane 158.1
    undecane 123.23
    tert-butylcyclohexane 208.46
    cyclooctane 176.38
    cyclopentanol 1269.02
    tetrahydropyran 2255.86
    tert-amyl methyl ether 930.6
    2,5,8-trioxanonane 1324.68
    1-hexene 600.76
    2-isopropoxyethanol 995.36
    2,2,2-trifluoroethanol 697.96
    methyl butyrate 909.39

    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