2,2,4,4-Tetramethylcyclobutane-1,3-diol

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  • Identifiers

    CAS number
    3010-96-6

    Molecular formula
    C8H16O2

    SMILES
    CC1(C(C(C1O)(C)C)O)C

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 60.75%
    Camphoreous 58.53%
    Woody 53.83%
    Mint 46.65%
    Earthy 44.84%
    Herbal 42.82%
    Cooling 40.47%
    Musty 36.02%
    Pine 34.11%
    Spicy 29.06%

     

    Flavor
    Sweet 55.29%
    Bitter 51.62%
    Woody 47.81%
    Camphor 41.24%
    Herbal 35.47%
    Pine 33.57%
    Musty 24.63%
    Fir 23.49%
    Earthy 23.39%
    Balsam 23.35%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.1

    pKa est.
    8.24 (weak base)

    Molecular weight
    144.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    242°C

    Flash point

    • 81.61 ˚C est.

  • Synonyms

    • 2,2,4,4-Tetramethyl-1,3-cyclobutanediol
    • 3010-96-6
    • 2,2,4,4-tetramethylcyclobutane-1,3-diol
    • 1,3-Cyclobutanediol, 2,2,4,4-tetramethyl-
    • Tetramethyl-1,3-cyclobutanediol
    • EINECS 221-140-0
    • NSC 46473
    • DTXSID9044908
    • UNII-9T56625HW3
    • AI3-26279
    • DTXCID7024908
    • FQXGHZNSUOHCLO-UHFFFAOYSA-
    • EC 221-140-0
    • NSC-46473
    • 9T56625HW3
    • 2,2,4,4-Tetramethyl-1,3-cyclobutanediol,c&t
    • RefChem:80863
    • 221-140-0
    • 812-914-4
    • FQXGHZNSUOHCLO-UHFFFAOYSA-N
    • InChI=1/C8H16O2/c1-7(2)5(9)8(3,4)6(7)10/h5-6,9-10H,1-4H3
    • 2694-23-7
    • 1,1,3,3-Tetramethylcyclobutanediol
    • cis-2,2,4,4-Tetramethyl-1,3-cyclobutanediol
    • 3039-96-1
    • MFCD00001329
    • 2,2,4,4-Tetramethylcyclobutane-1,3-diol, trans
    • (1R,3r)-2,2,4,4-tetramethylcyclobutane-1,3-diol
    • 2.2.4.4-Tetramethyl-1-3-cyclo-butanediol
    • trans-2,2,4,4-Tetramethyl-1,3-cyclobutanediol
    • V7WK40I307
    • 2,2,4,4-Tetramethyl-1,3-cyclobutanediol, cis-
    • 2,2,4,4-Tetramethylcyclobutane-1,3-diol, cis-
    • 2,2,4,4-Tetramethyl-1,3-cyclobutanediol, trans-
    • 1,3-Cyclobutanediol, 2,2,4,4-tetramethyl-, cis-
    • NSC-92373
    • 1,3-Cyclobutanediol, 2,2,4,4-tetramethyl-, trans-
    • V3G697089H
    • 2,4-dihydroxy-1,1,3,3-tetramethylcyclobutane
    • 2,2,4,4-Tetramethylcyclobutane-1,3-diol, cis
    • trans-2,2,4,4-tetramethylcyclobutane-1,3-diol
    • UNII-V7WK40I307
    • UNII-V3G697089H
    • NSC46473
    • starbld0034661
    • NCIOpen2_001301
    • SCHEMBL45446
    • SCHEMBL268408
    • SCHEMBL270140
    • (1s,3s)-2,2,4,4-tetramethylcyclobutane-1,3-diol
    • SCHEMBL5598585
    • CHEMBL3186932
    • 1,3,3-Tetramethylcyclobutanediol
    • FQXGHZNSUOHCLO-OLQVQODUSA-N
    • DTXSID301263004
    • DAA01096
    • NSC92373
    • Tox21_301614
    • MFCD30166997
    • NSC 92373
    • SBB008546
    • 1, 2,2,4,4-tetramethyl-, cis-
    • AKOS015842160
    • AT13091
    • AT23587
    • 2,4,4-Tetramethyl-1,3-cyclobutanediol
    • NCGC00256202-01
    • AS-10568
    • 2,2,4,4-tetramethycyclobutane-1,3-diol
    • CAS-3010-96-6
    • cis-2,4,4-Tetramethyl-1,3-cyclobutanediol
    • CS-0153881
    • NS00006132
    • ST50823922
    • T0145
    • cis-2,2,4,4-tetramethylcyclobutane-1,3-diol
    • EN300-343680
    • EN300-718454
    • F340468
    • Q3214022
    • Q27291490
    • Methyl (4-hydroxy-5-methoxy-2-[2-(methylamino)ethyl]phenyl)acetate
    • 3010-96-6

  • Applications

    2,2,4,4-Tetramethylcyclobutane-1,3-diol (CAS 3010-96-6) is primarily used as a rigid diol building block in high-performance polymers. In polymer systems, it serves as a monomer or chain extender for polyester and polyurethane, delivering enhanced thermal stability, chemical resistance and mechanical rigidity thanks to its bulky cyclobutane core. In coatings and inks, it functions as a crosslinking/chain-extending agent to improve hardness and solvent resistance in UV-curable and thermosetting systems. It is also explored as a component in specialty resins for adhesives and for electronic/packaging applications, where the rigid, bulky structure supports dimensional stability and elevated glass transition temperatures. As a reactive diol intermediate, it supports formulation of advanced materials across polymers, coatings and adhesives, subject to formulation limits and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 287.65
    methanol 474.05
    isopropanol 202.71
    water 91.6
    ethyl acetate 128.46
    n-propanol 211.64
    acetone 159.24
    n-butanol 177.92
    acetonitrile 153.29
    DMF 205.18
    toluene 32.38
    isobutanol 147.3
    1,4-dioxane 230.06
    methyl acetate 119.45
    THF 355.08
    2-butanone 113.13
    n-pentanol 112.76
    sec-butanol 155.87
    n-hexane 21.47
    ethylene glycol 176.37
    NMP 205.77
    cyclohexane 22.09
    DMSO 196.51
    n-butyl acetate 100.11
    n-octanol 93.87
    chloroform 317.86
    n-propyl acetate 85.89
    acetic acid 390.66
    dichloromethane 213.1
    cyclohexanone 133.94
    propylene glycol 154.19
    isopropyl acetate 106.09
    DMAc 158.29
    2-ethoxyethanol 209.43
    isopentanol 142.53
    n-heptane 27.34
    ethyl formate 118.18
    1,2-dichloroethane 114.61
    n-hexanol 150.02
    2-methoxyethanol 370.36
    isobutyl acetate 64.9
    tetrachloromethane 114.28
    n-pentyl acetate 83.39
    transcutol 310.87
    n-heptanol 113.83
    ethylbenzene 30.81
    MIBK 98.08
    2-propoxyethanol 258.12
    tert-butanol 239.79
    MTBE 152.41
    2-butoxyethanol 190.34
    propionic acid 172.95
    o-xylene 40.0
    formic acid 400.36
    diethyl ether 140.5
    m-xylene 42.67
    p-xylene 47.56
    chlorobenzene 54.54
    dimethyl carbonate 63.67
    n-octane 12.74
    formamide 382.39
    cyclopentanone 200.37
    2-pentanone 108.77
    anisole 75.23
    cyclopentyl methyl ether 144.34
    gamma-butyrolactone 253.79
    1-methoxy-2-propanol 252.96
    pyridine 92.41
    3-pentanone 77.98
    furfural 209.16
    n-dodecane 7.87
    diethylene glycol 242.91
    diisopropyl ether 71.9
    tert-amyl alcohol 182.85
    acetylacetone 131.8
    n-hexadecane 8.34
    acetophenone 79.74
    methyl propionate 102.64
    isopentyl acetate 103.08
    trichloroethylene 212.86
    n-nonanol 81.26
    cyclohexanol 111.36
    benzyl alcohol 69.58
    2-ethylhexanol 86.98
    isooctanol 91.26
    dipropyl ether 95.68
    1,2-dichlorobenzene 68.8
    ethyl lactate 75.77
    propylene carbonate 172.37
    n-methylformamide 211.97
    2-pentanol 129.96
    n-pentane 26.58
    1-propoxy-2-propanol 181.43
    1-methoxy-2-propyl acetate 130.11
    2-(2-methoxypropoxy) propanol 125.37
    mesitylene 37.91
    ε-caprolactone 144.64
    p-cymene 44.14
    epichlorohydrin 228.31
    1,1,1-trichloroethane 151.62
    2-aminoethanol 250.56
    morpholine-4-carbaldehyde 213.69
    sulfolane 274.93
    2,2,4-trimethylpentane 21.92
    2-methyltetrahydrofuran 196.07
    n-hexyl acetate 106.17
    isooctane 21.56
    2-(2-butoxyethoxy)ethanol 166.21
    sec-butyl acetate 67.37
    tert-butyl acetate 137.52
    decalin 16.6
    glycerin 221.86
    diglyme 270.3
    acrylic acid 167.26
    isopropyl myristate 44.59
    n-butyric acid 199.05
    acetyl acetate 106.38
    di(2-ethylhexyl) phthalate 51.33
    ethyl propionate 78.43
    nitromethane 343.65
    1,2-diethoxyethane 102.5
    benzonitrile 69.51
    trioctyl phosphate 45.07
    1-bromopropane 76.89
    gamma-valerolactone 241.32
    n-decanol 56.59
    triethyl phosphate 55.17
    4-methyl-2-pentanol 100.35
    propionitrile 105.85
    vinylene carbonate 140.5
    1,1,2-trichlorotrifluoroethane 242.52
    DMS 75.89
    cumene 34.55
    2-octanol 73.37
    2-hexanone 78.16
    octyl acetate 58.01
    limonene 58.0
    1,2-dimethoxyethane 222.56
    ethyl orthosilicate 56.65
    tributyl phosphate 45.08
    diacetone alcohol 164.5
    N,N-dimethylaniline 68.24
    acrylonitrile 119.37
    aniline 66.77
    1,3-propanediol 262.52
    bromobenzene 49.11
    dibromomethane 145.44
    1,1,2,2-tetrachloroethane 195.85
    2-methyl-cyclohexyl acetate 88.3
    tetrabutyl urea 49.9
    diisobutyl methanol 71.17
    2-phenylethanol 95.48
    styrene 28.84
    dioctyl adipate 60.24
    dimethyl sulfate 109.38
    ethyl butyrate 87.32
    methyl lactate 98.24
    butyl lactate 86.91
    diethyl carbonate 62.8
    propanediol butyl ether 152.29
    triethyl orthoformate 77.73
    p-tert-butyltoluene 50.28
    methyl 4-tert-butylbenzoate 122.44
    morpholine 241.74
    tert-butylamine 180.44
    n-dodecanol 40.61
    dimethoxymethane 190.08
    ethylene carbonate 119.5
    cyrene 127.08
    2-ethoxyethyl acetate 101.83
    2-ethylhexyl acetate 78.29
    1,2,4-trichlorobenzene 85.52
    4-methylpyridine 84.77
    dibutyl ether 59.91
    2,6-dimethyl-4-heptanol 71.17
    DEF 106.09
    dimethyl isosorbide 197.12
    tetrachloroethylene 167.63
    eugenol 107.11
    triacetin 102.12
    span 80 110.59
    1,4-butanediol 108.17
    1,1-dichloroethane 137.65
    2-methyl-1-pentanol 90.13
    methyl formate 167.83
    2-methyl-1-butanol 128.51
    n-decane 14.58
    butyronitrile 106.11
    3,7-dimethyl-1-octanol 80.54
    1-chlorooctane 44.67
    1-chlorotetradecane 16.74
    n-nonane 14.32
    undecane 10.2
    tert-butylcyclohexane 20.9
    cyclooctane 13.2
    cyclopentanol 151.17
    tetrahydropyran 151.74
    tert-amyl methyl ether 118.14
    2,5,8-trioxanonane 183.33
    1-hexene 44.38
    2-isopropoxyethanol 136.83
    2,2,2-trifluoroethanol 253.6
    methyl butyrate 93.66

    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