Hexahydro-4,7-methanoindan-2,5-dimethanol

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  • Identifiers

    CAS number
    28132-01-6

    Molecular formula
    C12H20O2

    SMILES
    C1C(CC2C1C3CC(C2C3)CO)CO

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 59.3%
    Sweet 54.4%
    Mint 32.65%
    Rose 30.64%
    Camphoreous 30.14%
    Sandalwood 29.32%
    Woody 28.75%
    Balsamic 28.55%
    Clean 26.57%
    Amber 26.43%

     

    Flavor
    Sweet 40.33%
    Bitter 31.01%
    Fruity 30.87%
    Fruit 29.59%
    Odorless 27.2%
    Fatty 26.43%
    Alkaline 23.83%
    Sweet-like 23.76%
    Cauliflower 23.02%
    Mentholic 21.63%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    8.59 (weak base)

    Molecular weight
    196.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    373°C

    Flash point

    • 138.6 ˚C est.

  • Synonyms

    • 28132-01-6
    • 4,7-Methano-1H-indene-2,5-dimethanol, octahydro-
    • Octahydro-4,7-methano-1H-indene-2,5-dimethanol
    • 61GSS6WMRM
    • Hexahydro-4,7-methanoindan-2,5-dimethanol
    • EINECS 248-857-1
    • NSC 76048
    • NSC-76048
    • AI3-51330
    • Tricyclo(5.2.1.02,6)decane-4,8-dimethylol
    • Tricyclo(5.2.1.02,6)decane-4,9-dimethylol
    • Tricyclo[5.2.1.02,6]decane-4,8-dimethanol
    • DTXSID60865415
    • 4,7-METHANOINDAN-2,5-DIMETHANOL, HEXAHYDRO-
    • TRICYCLO(5.2.1.02,6)DECANE-4,8-DIMETHANOL
    • RefChem:786147
    • DTXCID70813826
    • 248-857-1
    • (Octahydro-1H-4,7-methanoindene-2,5-diyl)dimethanol
    • 4,8-Bis(hydroxymethyl)tricyclo[5.2.1.0(2,6)]decane
    • [8-(hydroxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methanol
    • UNII-61GSS6WMRM
    • TDMol
    • 4,7-Methano-1H-indene-2,5-dimethanol,octahydro-
    • NSC76048
    • 4,5-dimethanol, octahydro-
    • SCHEMBL1684050
    • WZG0048
    • FB173274
    • CS-0378014
    • NS00051185
    • tricyclo[5,2,1,02,6 ]decane-4,8-dimethanol
    • Q27263343
    • 4,8-bis(hydroxymethyl)-tricyclo[5.2.1.02,6 ] decane
    • [4-(hydroxymethyl)tricyclo[5.2.1.0,decan-8-yl]methanol
    • [4-(hydroxymethyl)tricyclo[5.2.1.0(2),]decan-8-yl]methanol
    • 28132-01-6

  • Applications

    Hexahydro-4,7-methanoindan-2,5-dimethanol (CAS 28132-01-6) is primarily used as an advanced intermediate in the synthesis of specialty chemicals, including pharmaceutical and agrochemical intermediates; it functions as a functional diol building block for polymers, acting as a monomer or crosslinker in polyurethanes, polyesters, and epoxy resins; in coatings and adhesives it can serve as a rigid diol component to influence hardness and thermal stability; and it is evaluated as a fragrance or cosmetic ingredient precursor in perfumery and personal care formulations, depending on regulatory acceptability.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 746.21
    methanol 1197.73
    isopropanol 794.95
    water 20.56
    ethyl acetate 848.81
    n-propanol 625.8
    acetone 1367.22
    n-butanol 650.62
    acetonitrile 793.04
    DMF 750.79
    toluene 162.13
    isobutanol 408.77
    1,4-dioxane 1317.01
    methyl acetate 525.32
    THF 2141.65
    2-butanone 513.49
    n-pentanol 136.47
    sec-butanol 230.11
    n-hexane 5.27
    ethylene glycol 275.79
    NMP 285.22
    cyclohexane 22.84
    DMSO 1151.92
    n-butyl acetate 321.64
    n-octanol 80.61
    chloroform 901.66
    n-propyl acetate 263.31
    acetic acid 832.31
    dichloromethane 761.63
    cyclohexanone 631.22
    propylene glycol 231.54
    isopropyl acetate 596.45
    DMAc 260.32
    2-ethoxyethanol 454.87
    isopentanol 508.06
    n-heptane 11.73
    ethyl formate 684.81
    1,2-dichloroethane 522.16
    n-hexanol 221.95
    2-methoxyethanol 1578.66
    isobutyl acetate 177.09
    tetrachloromethane 158.57
    n-pentyl acetate 163.76
    transcutol 1154.54
    n-heptanol 111.31
    ethylbenzene 51.82
    MIBK 408.41
    2-propoxyethanol 636.82
    tert-butanol 811.07
    MTBE 400.55
    2-butoxyethanol 310.96
    propionic acid 458.21
    o-xylene 91.3
    formic acid 546.75
    diethyl ether 428.95
    m-xylene 145.43
    p-xylene 69.12
    chlorobenzene 227.95
    dimethyl carbonate 295.46
    n-octane 6.62
    formamide 893.7
    cyclopentanone 1169.76
    2-pentanone 670.68
    anisole 178.54
    cyclopentyl methyl ether 484.66
    gamma-butyrolactone 1407.84
    1-methoxy-2-propanol 1138.71
    pyridine 548.29
    3-pentanone 255.26
    furfural 858.51
    n-dodecane 5.26
    diethylene glycol 636.32
    diisopropyl ether 132.09
    tert-amyl alcohol 210.15
    acetylacetone 940.92
    n-hexadecane 6.06
    acetophenone 161.34
    methyl propionate 461.37
    isopentyl acetate 294.56
    trichloroethylene 986.56
    n-nonanol 70.12
    cyclohexanol 288.15
    benzyl alcohol 164.15
    2-ethylhexanol 95.47
    isooctanol 91.8
    dipropyl ether 159.73
    1,2-dichlorobenzene 196.89
    ethyl lactate 149.62
    propylene carbonate 689.54
    n-methylformamide 1036.21
    2-pentanol 293.62
    n-pentane 11.53
    1-propoxy-2-propanol 396.5
    1-methoxy-2-propyl acetate 452.76
    2-(2-methoxypropoxy) propanol 181.78
    mesitylene 99.1
    ε-caprolactone 505.13
    p-cymene 54.57
    epichlorohydrin 1310.45
    1,1,1-trichloroethane 424.35
    2-aminoethanol 436.02
    morpholine-4-carbaldehyde 549.1
    sulfolane 868.07
    2,2,4-trimethylpentane 8.47
    2-methyltetrahydrofuran 648.3
    n-hexyl acetate 180.02
    isooctane 14.51
    2-(2-butoxyethoxy)ethanol 321.13
    sec-butyl acetate 176.74
    tert-butyl acetate 481.85
    decalin 9.71
    glycerin 487.53
    diglyme 739.88
    acrylic acid 418.1
    isopropyl myristate 66.36
    n-butyric acid 1028.97
    acetyl acetate 553.19
    di(2-ethylhexyl) phthalate 71.24
    ethyl propionate 221.77
    nitromethane 1835.12
    1,2-diethoxyethane 320.47
    benzonitrile 266.19
    trioctyl phosphate 59.25
    1-bromopropane 159.79
    gamma-valerolactone 1276.51
    n-decanol 51.94
    triethyl phosphate 84.48
    4-methyl-2-pentanol 192.53
    propionitrile 492.92
    vinylene carbonate 620.71
    1,1,2-trichlorotrifluoroethane 635.99
    DMS 163.05
    cumene 41.6
    2-octanol 62.04
    2-hexanone 165.96
    octyl acetate 80.06
    limonene 65.17
    1,2-dimethoxyethane 674.08
    ethyl orthosilicate 83.19
    tributyl phosphate 69.63
    diacetone alcohol 496.03
    N,N-dimethylaniline 83.0
    acrylonitrile 642.91
    aniline 283.27
    1,3-propanediol 1031.67
    bromobenzene 205.47
    dibromomethane 380.46
    1,1,2,2-tetrachloroethane 597.21
    2-methyl-cyclohexyl acetate 124.82
    tetrabutyl urea 73.5
    diisobutyl methanol 96.19
    2-phenylethanol 188.96
    styrene 58.37
    dioctyl adipate 87.76
    dimethyl sulfate 320.38
    ethyl butyrate 233.02
    methyl lactate 301.75
    butyl lactate 156.09
    diethyl carbonate 154.8
    propanediol butyl ether 228.31
    triethyl orthoformate 156.47
    p-tert-butyltoluene 59.03
    methyl 4-tert-butylbenzoate 181.29
    morpholine 1056.4
    tert-butylamine 313.43
    n-dodecanol 38.34
    dimethoxymethane 1066.84
    ethylene carbonate 609.19
    cyrene 171.7
    2-ethoxyethyl acetate 277.1
    2-ethylhexyl acetate 169.78
    1,2,4-trichlorobenzene 207.48
    4-methylpyridine 394.28
    dibutyl ether 94.97
    2,6-dimethyl-4-heptanol 96.19
    DEF 340.05
    dimethyl isosorbide 332.57
    tetrachloroethylene 456.62
    eugenol 170.22
    triacetin 202.79
    span 80 155.15
    1,4-butanediol 171.64
    1,1-dichloroethane 489.24
    2-methyl-1-pentanol 100.69
    methyl formate 949.93
    2-methyl-1-butanol 261.89
    n-decane 8.84
    butyronitrile 573.12
    3,7-dimethyl-1-octanol 86.91
    1-chlorooctane 41.47
    1-chlorotetradecane 14.77
    n-nonane 8.27
    undecane 6.55
    tert-butylcyclohexane 9.67
    cyclooctane 11.0
    cyclopentanol 391.71
    tetrahydropyran 708.57
    tert-amyl methyl ether 148.08
    2,5,8-trioxanonane 368.54
    1-hexene 23.58
    2-isopropoxyethanol 255.31
    2,2,2-trifluoroethanol 481.49
    methyl butyrate 294.33

    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