2,3-Dimethyl-3-buten-2-ol

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  • Identifiers

    CAS number
    10473-13-9

    Molecular formula
    C6H12O

    SMILES
    CC(=C)C(C)(C)O

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Camphoreous 59.29%
    Herbal 57.17%
    Mint 52.58%
    Ethereal 43.32%
    Fresh 42.8%
    Earthy 41.04%
    Fruity 38.14%
    Woody 35.79%
    Pine 31.37%
    Ketonic 30.42%

     

    Flavor
    Herbal 51.09%
    Green 47.29%
    Woody 42.08%
    Citrus 40.29%
    Lavender 37.2%
    Herb 37.15%
    Sweet 34.6%
    Fruity 32.38%
    Pungent 30.84%
    Earthy 30.1%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    10.89 (weak base)

    Molecular weight
    100.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    115°C

    Flash point

    • 26.7 ˚C est.

  • Synonyms

    • 2,3-Dimethyl-3-buten-2-ol
    • 10473-13-9
    • EINECS 233-963-2
    • 3-Buten-2-ol, 2,3-dimethyl-
    • 2,3-Dimethyl-1-buten-3-ol
    • DTXSID70146686
    • CH2=C(CH3)C(CH3)2OH
    • 3-Hydroxy-2,3-dimethyl-1-butene
    • RefChem:81827
    • DTXCID0069177
    • 233-963-2
    • AWDLBZUXUNIODN-UHFFFAOYSA-N
    • 2,3-dimethylbut-3-en-2-ol
    • 3-Buten-2-ol,2,3-dimethyl-
    • Dimethylisopropenylcarbinol
    • SCHEMBL710805
    • SCHEMBL710806
    • SCHEMBL13341742
    • AKOS006275076
    • NS00023315
    • EN300-1855767
    • 10473-13-9

  • Applications

    2,3-Dimethyl-3-buten-2-ol (CAS 10473-13-9) is primarily viewed as an intermediate in fragrance and aroma chemistry, serving as a building block for terpenoid derivatives and as an odorant in perfumery; it is commonly evaluated for use in perfumery, flavor, and cosmetics/personal care formulations as a fragrance component; in industrial manufacturing it is explored as a synthetic intermediate for specialty chemicals and as a potential monomer or functional co-monomer for certain polymers or resins; it can also function as a processing aid or solvent in niche coatings, inks, and cleaning formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 959.4
    methanol 1102.23
    isopropanol 846.95
    water 51.97
    ethyl acetate 421.17
    n-propanol 710.06
    acetone 423.74
    n-butanol 639.31
    acetonitrile 455.83
    DMF 545.96
    toluene 148.48
    isobutanol 485.72
    1,4-dioxane 594.12
    methyl acetate 455.08
    THF 678.01
    2-butanone 476.95
    n-pentanol 398.11
    sec-butanol 773.39
    n-hexane 136.13
    ethylene glycol 251.21
    NMP 400.41
    cyclohexane 77.65
    DMSO 269.67
    n-butyl acetate 192.97
    n-octanol 289.77
    chloroform 654.41
    n-propyl acetate 168.96
    acetic acid 470.67
    dichloromethane 423.81
    cyclohexanone 317.95
    propylene glycol 440.4
    isopropyl acetate 249.68
    DMAc 636.03
    2-ethoxyethanol 469.06
    isopentanol 455.08
    n-heptane 96.38
    ethyl formate 244.97
    1,2-dichloroethane 221.68
    n-hexanol 486.34
    2-methoxyethanol 779.79
    isobutyl acetate 113.22
    tetrachloromethane 222.97
    n-pentyl acetate 177.28
    transcutol 811.09
    n-heptanol 299.89
    ethylbenzene 105.28
    MIBK 202.02
    2-propoxyethanol 586.24
    tert-butanol 874.28
    MTBE 531.84
    2-butoxyethanol 385.98
    propionic acid 494.7
    o-xylene 132.98
    formic acid 295.74
    diethyl ether 480.86
    m-xylene 123.18
    p-xylene 136.04
    chlorobenzene 146.52
    dimethyl carbonate 123.02
    n-octane 46.63
    formamide 379.01
    cyclopentanone 356.05
    2-pentanone 325.78
    anisole 214.41
    cyclopentyl methyl ether 306.16
    gamma-butyrolactone 352.87
    1-methoxy-2-propanol 634.42
    pyridine 331.3
    3-pentanone 273.33
    furfural 325.03
    n-dodecane 33.09
    diethylene glycol 392.36
    diisopropyl ether 162.63
    tert-amyl alcohol 797.24
    acetylacetone 242.54
    n-hexadecane 34.1
    acetophenone 165.54
    methyl propionate 322.13
    isopentyl acetate 173.48
    trichloroethylene 357.97
    n-nonanol 256.34
    cyclohexanol 353.19
    benzyl alcohol 187.5
    2-ethylhexanol 251.93
    isooctanol 226.66
    dipropyl ether 242.56
    1,2-dichlorobenzene 128.5
    ethyl lactate 131.14
    propylene carbonate 204.33
    n-methylformamide 418.08
    2-pentanol 521.48
    n-pentane 136.4
    1-propoxy-2-propanol 408.75
    1-methoxy-2-propyl acetate 206.75
    2-(2-methoxypropoxy) propanol 288.13
    mesitylene 86.19
    ε-caprolactone 312.36
    p-cymene 79.07
    epichlorohydrin 371.42
    1,1,1-trichloroethane 346.11
    2-aminoethanol 521.77
    morpholine-4-carbaldehyde 492.8
    sulfolane 263.95
    2,2,4-trimethylpentane 76.57
    2-methyltetrahydrofuran 533.2
    n-hexyl acetate 283.12
    isooctane 52.27
    2-(2-butoxyethoxy)ethanol 391.79
    sec-butyl acetate 148.68
    tert-butyl acetate 247.94
    decalin 53.41
    glycerin 399.88
    diglyme 542.19
    acrylic acid 350.06
    isopropyl myristate 116.26
    n-butyric acid 489.82
    acetyl acetate 195.43
    di(2-ethylhexyl) phthalate 97.86
    ethyl propionate 182.63
    nitromethane 509.57
    1,2-diethoxyethane 279.88
    benzonitrile 160.46
    trioctyl phosphate 81.89
    1-bromopropane 228.71
    gamma-valerolactone 476.0
    n-decanol 181.57
    triethyl phosphate 89.07
    4-methyl-2-pentanol 277.35
    propionitrile 405.18
    vinylene carbonate 174.46
    1,1,2-trichlorotrifluoroethane 359.53
    DMS 141.82
    cumene 89.65
    2-octanol 213.21
    2-hexanone 218.36
    octyl acetate 152.81
    limonene 112.45
    1,2-dimethoxyethane 534.65
    ethyl orthosilicate 101.52
    tributyl phosphate 87.32
    diacetone alcohol 340.65
    N,N-dimethylaniline 173.44
    acrylonitrile 368.02
    aniline 258.05
    1,3-propanediol 562.48
    bromobenzene 122.23
    dibromomethane 310.28
    1,1,2,2-tetrachloroethane 351.63
    2-methyl-cyclohexyl acetate 140.3
    tetrabutyl urea 103.86
    diisobutyl methanol 138.27
    2-phenylethanol 210.69
    styrene 108.11
    dioctyl adipate 129.53
    dimethyl sulfate 142.3
    ethyl butyrate 166.4
    methyl lactate 217.38
    butyl lactate 156.63
    diethyl carbonate 106.52
    propanediol butyl ether 339.15
    triethyl orthoformate 139.22
    p-tert-butyltoluene 86.77
    methyl 4-tert-butylbenzoate 195.36
    morpholine 718.55
    tert-butylamine 606.72
    n-dodecanol 131.67
    dimethoxymethane 342.14
    ethylene carbonate 158.84
    cyrene 197.3
    2-ethoxyethyl acetate 213.93
    2-ethylhexyl acetate 140.83
    1,2,4-trichlorobenzene 154.65
    4-methylpyridine 317.8
    dibutyl ether 205.07
    2,6-dimethyl-4-heptanol 138.27
    DEF 351.23
    dimethyl isosorbide 302.03
    tetrachloroethylene 274.58
    eugenol 198.53
    triacetin 200.56
    span 80 275.58
    1,4-butanediol 231.32
    1,1-dichloroethane 362.2
    2-methyl-1-pentanol 329.89
    methyl formate 238.82
    2-methyl-1-butanol 462.67
    n-decane 60.47
    butyronitrile 363.29
    3,7-dimethyl-1-octanol 235.41
    1-chlorooctane 144.95
    1-chlorotetradecane 58.02
    n-nonane 60.98
    undecane 42.83
    tert-butylcyclohexane 68.16
    cyclooctane 39.42
    cyclopentanol 394.56
    tetrahydropyran 493.24
    tert-amyl methyl ether 408.59
    2,5,8-trioxanonane 363.53
    1-hexene 254.56
    2-isopropoxyethanol 335.64
    2,2,2-trifluoroethanol 218.29
    methyl butyrate 215.35

    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