Butyl 3-hydroxy-2-methylidenebutanoate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    22141-40-8

    Molecular formula
    C9H16O3

    SMILES
    CCCCOC(=O)C(=C)C(C)O

    Safety labels

  • Odor profile

    Fragrance
    Fruity 56.07%
    Herbal 49.2%
    Sweet 41.01%
    Floral 40.19%
    Green 39.34%
    Winey 34.96%
    Chamomile 31.7%
    Woody 30.08%
    Caramellic 29.74%
    Apple 29.62%

     

    Flavor
    Fruity 63.97%
    Bitter 26.1%
    Berry 25.28%
    Grape 22.38%
    Odorless 21.49%
    Dried berry 20.46%
    Toffee 19.87%
    Broom 19.76%
    Molasses 19.7%
    Heather 19.7%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    8.47 (weak base)

    Molecular weight
    172.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    230°C

    Flash point

    • 87.67 ˚C est.

  • Synonyms

    • butyl 3-hydroxy-2-methylidenebutanoate
    • Butyl 3-hydroxy-2-methylene-butanoate
    • 22141-40-8
    • 3-Hydroxy-2-methylenebutanoic acid butyl ester
    • Isobutylester of 3-Hydroxy-2-methylidenebutryric acid
    • SCHEMBL5248798
    • DTXSID90340861
    • CHEBI:171941
    • Butyl 2-(1-hydroxyethyl)acrylate #
    • 3-Hydroxy-2-methylene-butyric acid butyl ester
    • Butanoic acid, 3-hydroxy-2-methylene-, butyl ester
    • Butyric acid, 3-hydroxy-2-methylene-, butyl ester
    • 22141-40-8

  • Applications

    Butyl 3-hydroxy-2-methylidenebutanoate (CAS 22141-40-8) is primarily used as a precursor and fragrance-building block in fragrance development, often evaluated as a raw material for aroma compounds; in cosmetics and personal care, it may serve as an intermediate for fragrance-related ingredients and formulations; in polymers and plastics, the hydroxyl group enables it to participate in polymer synthesis or to act as a functionalized monomer/intermediate in specialty polymer systems; in coatings and inks, it can be used as a reactive intermediate or additive for specialty formulations; and in cleaning and household products, it may appear as a fragrance component or synthesis intermediate, with use governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1306.23
    methanol 1681.35
    isopropanol 1250.38
    water 1.34
    ethyl acetate 640.48
    n-propanol 1088.44
    acetone 1211.15
    n-butanol 997.47
    acetonitrile 555.49
    DMF 1725.72
    toluene 142.11
    isobutanol 874.2
    1,4-dioxane 1167.58
    methyl acetate 611.48
    THF 1523.13
    2-butanone 831.95
    n-pentanol 731.84
    sec-butanol 1243.73
    n-hexane 56.02
    ethylene glycol 217.96
    NMP 1280.53
    cyclohexane 91.73
    DMSO 1468.17
    n-butyl acetate 540.86
    n-octanol 256.01
    chloroform 1012.66
    n-propyl acetate 397.58
    acetic acid 1379.58
    dichloromethane 791.92
    cyclohexanone 1230.22
    propylene glycol 426.91
    isopropyl acetate 394.54
    DMAc 1096.42
    2-ethoxyethanol 668.87
    isopentanol 823.56
    n-heptane 22.48
    ethyl formate 449.6
    1,2-dichloroethane 647.58
    n-hexanol 658.68
    2-methoxyethanol 1208.34
    isobutyl acetate 259.45
    tetrachloromethane 113.76
    n-pentyl acetate 274.44
    transcutol 1589.74
    n-heptanol 236.64
    ethylbenzene 131.83
    MIBK 392.84
    2-propoxyethanol 738.72
    tert-butanol 1562.7
    MTBE 756.84
    2-butoxyethanol 361.12
    propionic acid 792.5
    o-xylene 153.81
    formic acid 355.02
    diethyl ether 510.52
    m-xylene 147.4
    p-xylene 188.99
    chlorobenzene 306.62
    dimethyl carbonate 161.19
    n-octane 13.08
    formamide 444.43
    cyclopentanone 1176.25
    2-pentanone 659.93
    anisole 302.71
    cyclopentyl methyl ether 615.6
    gamma-butyrolactone 1356.19
    1-methoxy-2-propanol 914.9
    pyridine 639.89
    3-pentanone 387.27
    furfural 848.79
    n-dodecane 13.47
    diethylene glycol 531.83
    diisopropyl ether 150.35
    tert-amyl alcohol 1354.24
    acetylacetone 593.59
    n-hexadecane 15.48
    acetophenone 324.5
    methyl propionate 457.46
    isopentyl acetate 486.16
    trichloroethylene 1239.08
    n-nonanol 209.88
    cyclohexanol 930.75
    benzyl alcohol 323.0
    2-ethylhexanol 313.8
    isooctanol 201.15
    dipropyl ether 194.09
    1,2-dichlorobenzene 301.65
    ethyl lactate 206.05
    propylene carbonate 697.41
    n-methylformamide 673.52
    2-pentanol 770.42
    n-pentane 43.65
    1-propoxy-2-propanol 548.94
    1-methoxy-2-propyl acetate 421.2
    2-(2-methoxypropoxy) propanol 351.27
    mesitylene 112.95
    ε-caprolactone 976.24
    p-cymene 95.87
    epichlorohydrin 1152.8
    1,1,1-trichloroethane 589.76
    2-aminoethanol 486.7
    morpholine-4-carbaldehyde 933.47
    sulfolane 1446.3
    2,2,4-trimethylpentane 40.64
    2-methyltetrahydrofuran 1227.66
    n-hexyl acetate 410.73
    isooctane 30.91
    2-(2-butoxyethoxy)ethanol 511.53
    sec-butyl acetate 268.55
    tert-butyl acetate 443.91
    decalin 51.94
    glycerin 459.91
    diglyme 799.3
    acrylic acid 603.34
    isopropyl myristate 143.53
    n-butyric acid 1083.73
    acetyl acetate 360.66
    di(2-ethylhexyl) phthalate 150.08
    ethyl propionate 303.35
    nitromethane 1349.56
    1,2-diethoxyethane 411.27
    benzonitrile 350.93
    trioctyl phosphate 118.11
    1-bromopropane 366.78
    gamma-valerolactone 1310.99
    n-decanol 148.39
    triethyl phosphate 132.9
    4-methyl-2-pentanol 339.39
    propionitrile 494.42
    vinylene carbonate 554.61
    1,1,2-trichlorotrifluoroethane 820.28
    DMS 256.82
    cumene 106.28
    2-octanol 191.33
    2-hexanone 462.52
    octyl acetate 192.8
    limonene 165.03
    1,2-dimethoxyethane 988.9
    ethyl orthosilicate 131.06
    tributyl phosphate 153.6
    diacetone alcohol 621.49
    N,N-dimethylaniline 217.52
    acrylonitrile 537.51
    aniline 311.46
    1,3-propanediol 790.03
    bromobenzene 275.52
    dibromomethane 560.76
    1,1,2,2-tetrachloroethane 1128.99
    2-methyl-cyclohexyl acetate 268.01
    tetrabutyl urea 188.68
    diisobutyl methanol 172.47
    2-phenylethanol 324.19
    styrene 154.17
    dioctyl adipate 212.77
    dimethyl sulfate 292.31
    ethyl butyrate 303.41
    methyl lactate 285.88
    butyl lactate 255.33
    diethyl carbonate 192.02
    propanediol butyl ether 462.35
    triethyl orthoformate 191.85
    p-tert-butyltoluene 94.93
    methyl 4-tert-butylbenzoate 280.26
    morpholine 1518.33
    tert-butylamine 765.81
    n-dodecanol 109.37
    dimethoxymethane 565.6
    ethylene carbonate 497.1
    cyrene 359.96
    2-ethoxyethyl acetate 325.39
    2-ethylhexyl acetate 333.09
    1,2,4-trichlorobenzene 377.63
    4-methylpyridine 626.44
    dibutyl ether 222.46
    2,6-dimethyl-4-heptanol 172.47
    DEF 718.86
    dimethyl isosorbide 523.55
    tetrachloroethylene 684.43
    eugenol 287.35
    triacetin 311.99
    span 80 353.31
    1,4-butanediol 320.14
    1,1-dichloroethane 716.0
    2-methyl-1-pentanol 647.73
    methyl formate 496.66
    2-methyl-1-butanol 812.92
    n-decane 22.15
    butyronitrile 592.82
    3,7-dimethyl-1-octanol 256.18
    1-chlorooctane 122.18
    1-chlorotetradecane 46.18
    n-nonane 20.04
    undecane 16.88
    tert-butylcyclohexane 50.05
    cyclooctane 23.67
    cyclopentanol 983.17
    tetrahydropyran 1216.51
    tert-amyl methyl ether 514.41
    2,5,8-trioxanonane 532.31
    1-hexene 223.87
    2-isopropoxyethanol 458.13
    2,2,2-trifluoroethanol 311.97
    methyl butyrate 495.08

    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