3-Methyl-3-buten-2-ol

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    10473-14-0

    Molecular formula
    C5H10O

    SMILES
    CC(C(=C)C)O

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Earthy 45.12%
    Herbal 44.23%
    Ethereal 43.37%
    Green 42.9%
    Pungent 39.05%
    Camphoreous 37.38%
    Mint 35.7%
    Fruity 32.08%
    Fermented 28.52%
    Musty 28.28%

    Scent© AI

  • Properties

    XLogP3-AA
    1.2

    Molecular weight
    86.13 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    108°C

    Flash point est.
    27.73 ˚C

  • Synonyms

    • 3-Methyl-3-buten-2-ol
    • 10473-14-0
    • 3-methylbut-3-en-2-ol
    • 3-Buten-2-ol, 3-methyl-
    • Methyl isopropenyl carbinol
    • 2-methyl-1-buten-3-ol
    • KG8M3UNR9E
    • xi-3-Methyl-3-buten-2-ol
    • EINECS 233-964-8
    • 3-METHYLENE-2-BUTANOL
    • AI3-28605
    • 3-METHYLIDENEBUTAN-2-OL
    • DTXSID30871205
    • 3-METHYL-3-BUTEN-2-OL, (+/-)-
    • UNII-KG8M3UNR9E
    • 3-methylbut-3-ene-2-ol
    • 3-Methyl-3-buten-2-ol #
    • 2-methyl-3-hydroxybut-1-ene
    • CH2=C(CH3)CH(OH)CH3
    • DTXCID70818876
    • CHEBI:179697
    • MFCD00060892
    • AKOS006274365
    • SY145959
    • NS00053191
    • EN300-114325
    • Q27282241
    • 233-964-8

  • Applications

    3-Methyl-3-buten-2-ol (CAS 10473-14-0) is a versatile secondary allylic alcohol used mainly as a synthetic intermediate: it is converted to 3‑methyl‑3‑buten‑2‑yl halides/carbonates/sulfonates for Pd/Cu‑catalyzed SN2' allylations (installing an isoprenyl motif) in pharmaceutical, agrochemical and fragrance synthesis; undergoes esterification or etherification to give allylic esters/ethers employed as fragrance ingredients, solvents and feedstocks for resins/emulsions; can be dehydrated or oxidized to provide isoprenoid and enone building blocks for fine chemicals, polymer intermediates and curing agents; and serves as a co‑solvent/reaction additive due to moderate polarity as well as a functional handle to introduce terminal‑alkene groups onto polymers (notably after acrylation for use as a reactive diluent in UV‑curable coatings, inks and adhesives).

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 537.03
    methanol 560.65
    isopropanol 391.53
    water 43.16
    ethyl acetate 159.37
    n-propanol 407.9
    acetone 133.41
    n-butanol 388.98
    acetonitrile 187.2
    DMF 173.63
    toluene 39.3
    isobutanol 269.57
    1,4-dioxane 260.23
    methyl acetate 178.72
    THF 275.52
    2-butanone 176.03
    n-pentanol 250.96
    sec-butanol 389.73
    n-hexane 35.79
    ethylene glycol 158.45
    NMP 160.44
    cyclohexane 24.83
    DMSO 117.59
    n-butyl acetate 103.68
    n-octanol 140.55
    chloroform 246.55
    n-propyl acetate 80.44
    acetic acid 357.3
    dichloromethane 156.87
    cyclohexanone 145.96
    propylene glycol 253.82
    isopropyl acetate 88.95
    DMAc 206.91
    2-ethoxyethanol 274.66
    isopentanol 292.04
    n-heptane 34.97
    ethyl formate 116.59
    1,2-dichloroethane 81.13
    n-hexanol 281.37
    2-methoxyethanol 416.02
    isobutyl acetate 51.56
    tetrachloromethane 85.41
    n-pentyl acetate 90.25
    transcutol 528.4
    n-heptanol 172.52
    ethylbenzene 28.61
    MIBK 81.11
    2-propoxyethanol 294.81
    tert-butanol 424.17
    MTBE 207.05
    2-butoxyethanol 225.37
    propionic acid 306.08
    o-xylene 42.27
    formic acid 215.73
    diethyl ether 176.61
    m-xylene 36.2
    p-xylene 39.61
    chlorobenzene 51.93
    dimethyl carbonate 37.18
    n-octane 14.93
    formamide 217.56
    cyclopentanone 160.76
    2-pentanone 121.66
    anisole 77.14
    cyclopentyl methyl ether 127.64
    gamma-butyrolactone 167.69
    1-methoxy-2-propanol 312.57
    pyridine 146.79
    3-pentanone 95.74
    furfural 167.87
    n-dodecane 10.79
    diethylene glycol 232.9
    diisopropyl ether 53.92
    tert-amyl alcohol 413.23
    acetylacetone 88.61
    n-hexadecane 10.85
    acetophenone 64.65
    methyl propionate 116.08
    isopentyl acetate 93.22
    trichloroethylene 144.99
    n-nonanol 124.23
    cyclohexanol 193.05
    benzyl alcohol 94.38
    2-ethylhexanol 151.85
    isooctanol 130.31
    dipropyl ether 99.41
    1,2-dichlorobenzene 46.73
    ethyl lactate 63.07
    propylene carbonate 97.58
    n-methylformamide 177.33
    2-pentanol 268.93
    n-pentane 38.64
    1-propoxy-2-propanol 219.56
    1-methoxy-2-propyl acetate 92.98
    2-(2-methoxypropoxy) propanol 159.75
    mesitylene 25.38
    ε-caprolactone 161.88
    p-cymene 32.45
    epichlorohydrin 165.96
    1,1,1-trichloroethane 109.46
    2-aminoethanol 341.21
    morpholine-4-carbaldehyde 210.91
    sulfolane 122.83
    2,2,4-trimethylpentane 28.99
    2-methyltetrahydrofuran 245.92
    n-hexyl acetate 127.41
    isooctane 17.9
    2-(2-butoxyethoxy)ethanol 235.09
    sec-butyl acetate 62.93
    tert-butyl acetate 95.17
    decalin 16.51
    glycerin 253.9
    diglyme 298.41
    acrylic acid 224.82
    isopropyl myristate 48.15
    n-butyric acid 333.4
    acetyl acetate 76.6
    di(2-ethylhexyl) phthalate 50.19
    ethyl propionate 72.54
    nitromethane 247.92
    1,2-diethoxyethane 140.97
    benzonitrile 78.52
    trioctyl phosphate 40.55
    1-bromopropane 76.07
    gamma-valerolactone 221.61
    n-decanol 87.56
    triethyl phosphate 41.88
    4-methyl-2-pentanol 141.36
    propionitrile 174.27
    vinylene carbonate 85.65
    1,1,2-trichlorotrifluoroethane 187.44
    DMS 55.6
    cumene 28.86
    2-octanol 108.03
    2-hexanone 92.03
    octyl acetate 68.82
    limonene 52.03
    1,2-dimethoxyethane 233.09
    ethyl orthosilicate 48.11
    tributyl phosphate 42.39
    diacetone alcohol 163.62
    N,N-dimethylaniline 58.92
    acrylonitrile 164.43
    aniline 113.3
    1,3-propanediol 364.26
    bromobenzene 36.05
    dibromomethane 113.17
    1,1,2,2-tetrachloroethane 136.82
    2-methyl-cyclohexyl acetate 70.97
    tetrabutyl urea 46.65
    diisobutyl methanol 75.15
    2-phenylethanol 103.81
    styrene 30.74
    dioctyl adipate 58.57
    dimethyl sulfate 46.59
    ethyl butyrate 83.22
    methyl lactate 88.36
    butyl lactate 82.77
    diethyl carbonate 48.73
    propanediol butyl ether 187.8
    triethyl orthoformate 67.5
    p-tert-butyltoluene 32.36
    methyl 4-tert-butylbenzoate 88.08
    morpholine 330.81
    tert-butylamine 263.32
    n-dodecanol 62.04
    dimethoxymethane 110.71
    ethylene carbonate 75.5
    cyrene 103.44
    2-ethoxyethyl acetate 106.52
    2-ethylhexyl acetate 70.45
    1,2,4-trichlorobenzene 60.61
    4-methylpyridine 126.9
    dibutyl ether 91.21
    2,6-dimethyl-4-heptanol 75.15
    DEF 135.09
    dimethyl isosorbide 155.5
    tetrachloroethylene 126.8
    eugenol 101.92
    triacetin 89.55
    span 80 157.31
    1,4-butanediol 155.36
    1,1-dichloroethane 115.03
    2-methyl-1-pentanol 213.89
    methyl formate 94.66
    2-methyl-1-butanol 295.11
    n-decane 19.12
    butyronitrile 177.18
    3,7-dimethyl-1-octanol 122.07
    1-chlorooctane 54.16
    1-chlorotetradecane 20.59
    n-nonane 18.9
    undecane 13.67
    tert-butylcyclohexane 21.88
    cyclooctane 11.62
    cyclopentanol 210.22
    tetrahydropyran 220.74
    tert-amyl methyl ether 165.57
    2,5,8-trioxanonane 200.81
    1-hexene 86.89
    2-isopropoxyethanol 198.53
    2,2,2-trifluoroethanol 139.69
    methyl butyrate 96.93

    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

Botanical

Name CAS Botanical Proportion
Lime (Persian) 3 90063-52-8 Citrus latifolia Tanaka, fam. Rutaceae 0.02%