beta,4-Bis(methylene)cyclohexaneethanol

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  • Identifiers

    CAS number
    29548-13-8

    Molecular formula
    C10H16O

    SMILES
    C=C1CCC(CC1)C(=C)CO

    Safety labels

  • Odor profile

    Fragrance
    Fruity 68.36%
    Green 59.68%
    Floral 57.42%
    Herbal 54.23%
    Sweet 45.82%
    Fresh 45.7%
    Mint 44.95%
    Woody 38.28%
    Citrus 33.77%
    Rose 31.52%

     

    Flavor
    Spicy 33.35%
    Herbal 33.11%
    Spice 32.85%
    Sweet 31.31%
    Fatty 30.84%
    Minty 30.26%
    Green 29.83%
    Mint 29.72%
    Fresh 26.47%
    Oily 25.45%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    9.0 (weak base)

    Molecular weight
    152.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    243°C

    Flash point

    • 103.31 ˚C est.

  • Synonyms

    • 29548-13-8
    • BETA,4-BIS(METHYLENE)CYCLOHEXANEETHANOL
    • DTXSID50183731
    • RefChem:1079560
    • DTXCID90106222
    • p-Mentha-1(7),8(10)-dien-9-ol
    • 2-(4-methylidenecyclohexyl)prop-2-en-1-ol
    • 1(7),8(10)-p-Menthadien-9-ol
    • SCHEMBL15319201
    • CHEBI:228937
    • SDDQNZKSVASSFO-UHFFFAOYSA-N
    • 2-(4-Methylenecyclohexyl)-2-propen-1-ol
    • DB-239016
    • 2-(4-Methylenecyclohexyl)-2-propen-1-ol #
    • 29548-13-8

  • Applications

    beta,4-Bis(methylene)cyclohexaneethanol (CAS 29548-13-8) is primarily used as a diol building block in polymer synthesis, serving as a chain extender or crosslinking component in polyurethanes, polyesters, and epoxy systems to enhance mechanical properties and chemical resistance; in coatings and inks it functions as a reactive diol crosslinker, contributing to improved hardness and durability; in adhesive formulations it acts as a crosslinking/chain-extending agent to tailor adhesion and performance; in industrial manufacturing it appears as a specialty intermediate for the synthesis of high-value resins and performance materials; and it may be evaluated for niche applications requiring rigid cycloaliphatic diol building blocks.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1266.81
    methanol 1335.13
    isopropanol 1021.6
    water 1.25
    ethyl acetate 974.53
    n-propanol 1257.7
    acetone 683.69
    n-butanol 1178.98
    acetonitrile 879.72
    DMF 596.74
    toluene 302.46
    isobutanol 661.93
    1,4-dioxane 1565.29
    methyl acetate 680.48
    THF 1521.23
    2-butanone 744.58
    n-pentanol 432.52
    sec-butanol 658.08
    n-hexane 26.11
    ethylene glycol 141.74
    NMP 325.39
    cyclohexane 69.69
    DMSO 760.79
    n-butyl acetate 613.97
    n-octanol 121.7
    chloroform 1339.24
    n-propyl acetate 406.01
    acetic acid 739.28
    dichloromethane 971.6
    cyclohexanone 738.49
    propylene glycol 235.68
    isopropyl acetate 409.97
    DMAc 308.41
    2-ethoxyethanol 601.76
    isopentanol 730.39
    n-heptane 31.76
    ethyl formate 622.06
    1,2-dichloroethane 678.97
    n-hexanol 588.84
    2-methoxyethanol 1331.15
    isobutyl acetate 181.76
    tetrachloromethane 251.84
    n-pentyl acetate 205.75
    transcutol 1842.5
    n-heptanol 185.39
    ethylbenzene 96.67
    MIBK 275.0
    2-propoxyethanol 770.2
    tert-butanol 992.49
    MTBE 588.68
    2-butoxyethanol 364.57
    propionic acid 679.34
    o-xylene 142.15
    formic acid 307.24
    diethyl ether 866.96
    m-xylene 169.38
    p-xylene 112.17
    chlorobenzene 366.39
    dimethyl carbonate 135.51
    n-octane 8.34
    formamide 534.27
    cyclopentanone 794.65
    2-pentanone 600.91
    anisole 258.41
    cyclopentyl methyl ether 522.52
    gamma-butyrolactone 1019.09
    1-methoxy-2-propanol 816.54
    pyridine 1022.37
    3-pentanone 359.18
    furfural 824.04
    n-dodecane 4.53
    diethylene glycol 440.63
    diisopropyl ether 147.9
    tert-amyl alcohol 532.03
    acetylacetone 427.46
    n-hexadecane 5.35
    acetophenone 194.53
    methyl propionate 500.44
    isopentyl acetate 427.39
    trichloroethylene 1227.61
    n-nonanol 102.86
    cyclohexanol 533.34
    benzyl alcohol 244.12
    2-ethylhexanol 245.54
    isooctanol 134.21
    dipropyl ether 364.39
    1,2-dichlorobenzene 261.41
    ethyl lactate 131.67
    propylene carbonate 491.04
    n-methylformamide 753.05
    2-pentanol 568.31
    n-pentane 45.69
    1-propoxy-2-propanol 565.04
    1-methoxy-2-propyl acetate 461.64
    2-(2-methoxypropoxy) propanol 233.44
    mesitylene 95.17
    ε-caprolactone 645.92
    p-cymene 75.59
    epichlorohydrin 1133.52
    1,1,1-trichloroethane 591.27
    2-aminoethanol 485.0
    morpholine-4-carbaldehyde 597.23
    sulfolane 642.45
    2,2,4-trimethylpentane 19.51
    2-methyltetrahydrofuran 989.61
    n-hexyl acetate 225.92
    isooctane 20.64
    2-(2-butoxyethoxy)ethanol 417.87
    sec-butyl acetate 227.23
    tert-butyl acetate 345.55
    decalin 20.32
    glycerin 290.87
    diglyme 820.28
    acrylic acid 445.02
    isopropyl myristate 66.63
    n-butyric acid 1168.29
    acetyl acetate 314.88
    di(2-ethylhexyl) phthalate 75.88
    ethyl propionate 306.66
    nitromethane 1033.57
    1,2-diethoxyethane 628.53
    benzonitrile 363.95
    trioctyl phosphate 54.66
    1-bromopropane 377.36
    gamma-valerolactone 1080.29
    n-decanol 68.2
    triethyl phosphate 100.4
    4-methyl-2-pentanol 247.37
    propionitrile 814.81
    vinylene carbonate 451.67
    1,1,2-trichlorotrifluoroethane 614.51
    DMS 146.42
    cumene 63.1
    2-octanol 91.42
    2-hexanone 328.44
    octyl acetate 88.51
    limonene 117.27
    1,2-dimethoxyethane 851.96
    ethyl orthosilicate 114.36
    tributyl phosphate 72.72
    diacetone alcohol 388.04
    N,N-dimethylaniline 126.03
    acrylonitrile 807.47
    aniline 547.28
    1,3-propanediol 876.37
    bromobenzene 309.18
    dibromomethane 633.47
    1,1,2,2-tetrachloroethane 880.05
    2-methyl-cyclohexyl acetate 162.47
    tetrabutyl urea 78.85
    diisobutyl methanol 135.02
    2-phenylethanol 287.0
    styrene 133.17
    dioctyl adipate 100.77
    dimethyl sulfate 150.78
    ethyl butyrate 390.33
    methyl lactate 191.89
    butyl lactate 168.03
    diethyl carbonate 210.16
    propanediol butyl ether 241.38
    triethyl orthoformate 239.09
    p-tert-butyltoluene 76.54
    methyl 4-tert-butylbenzoate 159.08
    morpholine 1847.34
    tert-butylamine 606.76
    n-dodecanol 46.47
    dimethoxymethane 540.17
    ethylene carbonate 418.56
    cyrene 169.7
    2-ethoxyethyl acetate 309.85
    2-ethylhexyl acetate 296.22
    1,2,4-trichlorobenzene 299.07
    4-methylpyridine 705.89
    dibutyl ether 174.95
    2,6-dimethyl-4-heptanol 135.02
    DEF 511.22
    dimethyl isosorbide 356.39
    tetrachloroethylene 698.12
    eugenol 162.0
    triacetin 179.09
    span 80 204.02
    1,4-butanediol 176.32
    1,1-dichloroethane 726.26
    2-methyl-1-pentanol 278.54
    methyl formate 423.94
    2-methyl-1-butanol 582.64
    n-decane 9.88
    butyronitrile 852.86
    3,7-dimethyl-1-octanol 138.48
    1-chlorooctane 59.95
    1-chlorotetradecane 16.25
    n-nonane 9.47
    undecane 6.34
    tert-butylcyclohexane 20.22
    cyclooctane 19.11
    cyclopentanol 526.88
    tetrahydropyran 1447.25
    tert-amyl methyl ether 305.47
    2,5,8-trioxanonane 429.03
    1-hexene 136.97
    2-isopropoxyethanol 324.94
    2,2,2-trifluoroethanol 188.0
    methyl butyrate 425.46

    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