Hexahydro-2-hydroxymethyl-4,7-methanoindan

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  • Identifiers

    CAS number
    64644-36-6

    Molecular formula
    C11H18O

    SMILES
    C1CC2CC1C3C2CC(C3)CO

  • Odor profile

    Fragrance
    Floral 50.9%
    Clean 33.28%
    Sweet 33.14%
    Musk 32.26%
    Sandalwood 31.49%
    Amber 30.79%
    Rose 30.25%
    Woody 29.98%
    Camphoreous 29.78%
    Mint 29.31%

     

    Flavor
    Sweet 36.09%
    Fruity 32.16%
    Fruit 29.6%
    Animal 26.3%
    Alkaline 24.78%
    Bitter 22.84%
    Shrimp 22.33%
    Beet 22.03%
    Soil 21.85%
    Cauliflower 21.64%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    8.66 (weak base)

    Molecular weight
    166.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    276°C

    Flash point

    • 97.93 ˚C est.

  • Synonyms

    • 64644-36-6
    • Hexahydro-2-hydroxymethyl-4,7-methanoindan
    • (Octahydro-1H-4,7-methanoinden-2-yl)methanol
    • 4-Hydroxymethyl-tricyclo(5.2.1.0(sup 2,6))decane
    • Octahydro-4,7-methano-1H-indene-2-methanol
    • 1-[4-(3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-hydroxypropoxy)phenyl]propan-1-one hydrochloride(1:1)
    • EINECS 264-992-9
    • 4-Hydroxymethyl-tricyclo[5.2.1.0(sup 2,6)]decane
    • 4,7-Methanoindan, hexahydro-2-hydroxymethyl-
    • NSC77107
    • 4,7-Methano-1h-indene-2-methanol,octahydro-
    • SCHEMBL878992
    • 4, hexahydro-2-hydroxymethyl-
    • DTXSID30983251
    • NJKIJYKRBHGRME-UHFFFAOYSA-N
    • WLN: L C555 ATJ E1Q
    • NSC 77107
    • NSC-77107
    • AKOS024323104
    • {tricyclo[5.2.1.0,decan-4-yl}methanol
    • 4-tricyclo[5.2.1.02,6]decanylmethanol
    • DS-014655
    • NS00053654
    • {tricyclo[5.2.1.0(2),]decan-4-yl}methanol
    • 4-Hydroxymethyltricyclo(5.2.1.0 2,6)-Decane

  • Applications

    Hexahydro-2-hydroxymethyl-4,7-methanoindan (CAS 64644-36-6) is primarily utilized as a synthetic intermediate and an odor-related component in industrial applications. In perfumery and personal care, it can serve as a fragrance ingredient or fragrance fixative in formulations. It is also evaluated as a synthetic intermediate for pharmaceutical and agrochemical research and as a building block for other specialty chemicals. In industrial manufacturing, it may function as an intermediate and precursor for the synthesis of specialty compounds and materials. Additionally, it can be considered as a structural motif for use in coatings/inks or household products to impart scent profiles.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1744.3
    methanol 1331.69
    isopropanol 2156.2
    water 12.16
    ethyl acetate 2025.88
    n-propanol 1667.15
    acetone 3310.24
    n-butanol 1720.52
    acetonitrile 2736.13
    DMF 2147.13
    toluene 633.37
    isobutanol 1235.74
    1,4-dioxane 3233.58
    methyl acetate 1606.67
    THF 4671.65
    2-butanone 1654.29
    n-pentanol 426.31
    sec-butanol 866.54
    n-hexane 46.31
    ethylene glycol 381.88
    NMP 741.89
    cyclohexane 176.34
    DMSO 1791.78
    n-butyl acetate 992.19
    n-octanol 252.03
    chloroform 4163.66
    n-propyl acetate 680.07
    acetic acid 1348.47
    dichloromethane 4050.67
    cyclohexanone 1649.65
    propylene glycol 480.22
    isopropyl acetate 1198.65
    DMAc 690.39
    2-ethoxyethanol 778.97
    isopentanol 1300.87
    n-heptane 86.64
    ethyl formate 1666.43
    1,2-dichloroethane 2069.95
    n-hexanol 695.5
    2-methoxyethanol 2327.48
    isobutyl acetate 413.99
    tetrachloromethane 641.56
    n-pentyl acetate 426.64
    transcutol 2034.22
    n-heptanol 298.6
    ethylbenzene 192.92
    MIBK 916.35
    2-propoxyethanol 1383.68
    tert-butanol 1848.18
    MTBE 1219.89
    2-butoxyethanol 615.14
    propionic acid 1110.88
    o-xylene 294.75
    formic acid 451.13
    diethyl ether 1585.82
    m-xylene 415.27
    p-xylene 247.38
    chlorobenzene 834.27
    dimethyl carbonate 607.72
    n-octane 35.57
    formamide 843.75
    cyclopentanone 2732.47
    2-pentanone 1640.15
    anisole 499.29
    cyclopentyl methyl ether 1170.55
    gamma-butyrolactone 3044.57
    1-methoxy-2-propanol 1895.79
    pyridine 1795.91
    3-pentanone 857.58
    furfural 1793.97
    n-dodecane 27.81
    diethylene glycol 980.05
    diisopropyl ether 415.33
    tert-amyl alcohol 607.62
    acetylacetone 1711.43
    n-hexadecane 32.16
    acetophenone 391.6
    methyl propionate 1189.64
    isopentyl acetate 775.05
    trichloroethylene 3239.98
    n-nonanol 213.12
    cyclohexanol 841.44
    benzyl alcohol 373.23
    2-ethylhexanol 324.21
    isooctanol 237.19
    dipropyl ether 699.71
    1,2-dichlorobenzene 627.07
    ethyl lactate 297.4
    propylene carbonate 1510.71
    n-methylformamide 1778.79
    2-pentanol 911.03
    n-pentane 111.8
    1-propoxy-2-propanol 937.26
    1-methoxy-2-propyl acetate 939.56
    2-(2-methoxypropoxy) propanol 372.51
    mesitylene 269.42
    ε-caprolactone 1229.03
    p-cymene 174.36
    epichlorohydrin 2988.21
    1,1,1-trichloroethane 1799.66
    2-aminoethanol 734.12
    morpholine-4-carbaldehyde 1215.34
    sulfolane 1699.9
    2,2,4-trimethylpentane 44.37
    2-methyltetrahydrofuran 1936.25
    n-hexyl acetate 516.46
    isooctane 67.01
    2-(2-butoxyethoxy)ethanol 666.92
    sec-butyl acetate 419.96
    tert-butyl acetate 955.98
    decalin 51.86
    glycerin 656.17
    diglyme 1453.22
    acrylic acid 863.6
    isopropyl myristate 218.14
    n-butyric acid 2078.52
    acetyl acetate 1185.33
    di(2-ethylhexyl) phthalate 169.87
    ethyl propionate 616.91
    nitromethane 3088.5
    1,2-diethoxyethane 912.62
    benzonitrile 745.87
    trioctyl phosphate 142.88
    1-bromopropane 1043.98
    gamma-valerolactone 2680.8
    n-decanol 162.15
    triethyl phosphate 205.73
    4-methyl-2-pentanol 498.09
    propionitrile 1985.16
    vinylene carbonate 1448.13
    1,1,2-trichlorotrifluoroethane 1156.25
    DMS 402.69
    cumene 139.82
    2-octanol 179.48
    2-hexanone 507.39
    octyl acetate 246.52
    limonene 237.92
    1,2-dimethoxyethane 1433.32
    ethyl orthosilicate 201.26
    tributyl phosphate 179.96
    diacetone alcohol 842.27
    N,N-dimethylaniline 228.44
    acrylonitrile 2069.53
    aniline 795.36
    1,3-propanediol 1538.11
    bromobenzene 831.6
    dibromomethane 2223.56
    1,1,2,2-tetrachloroethane 1922.04
    2-methyl-cyclohexyl acetate 323.25
    tetrabutyl urea 196.15
    diisobutyl methanol 279.53
    2-phenylethanol 411.86
    styrene 242.19
    dioctyl adipate 248.32
    dimethyl sulfate 609.06
    ethyl butyrate 709.61
    methyl lactate 564.79
    butyl lactate 323.86
    diethyl carbonate 443.89
    propanediol butyl ether 436.59
    triethyl orthoformate 412.73
    p-tert-butyltoluene 176.64
    methyl 4-tert-butylbenzoate 381.65
    morpholine 2750.49
    tert-butylamine 1076.87
    n-dodecanol 128.25
    dimethoxymethane 2099.25
    ethylene carbonate 1408.08
    cyrene 306.52
    2-ethoxyethyl acetate 618.81
    2-ethylhexyl acetate 487.27
    1,2,4-trichlorobenzene 623.02
    4-methylpyridine 1314.78
    dibutyl ether 401.55
    2,6-dimethyl-4-heptanol 279.53
    DEF 930.75
    dimethyl isosorbide 676.18
    tetrachloroethylene 1270.56
    eugenol 337.48
    triacetin 440.76
    span 80 344.53
    1,4-butanediol 313.19
    1,1-dichloroethane 2300.8
    2-methyl-1-pentanol 306.51
    methyl formate 1530.61
    2-methyl-1-butanol 784.15
    n-decane 47.59
    butyronitrile 2042.62
    3,7-dimethyl-1-octanol 261.35
    1-chlorooctane 183.81
    1-chlorotetradecane 72.16
    n-nonane 46.76
    undecane 34.99
    tert-butylcyclohexane 47.51
    cyclooctane 63.08
    cyclopentanol 1106.65
    tetrahydropyran 2441.46
    tert-amyl methyl ether 447.23
    2,5,8-trioxanonane 745.04
    1-hexene 178.03
    2-isopropoxyethanol 499.51
    2,2,2-trifluoroethanol 661.99
    methyl butyrate 793.32

    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