2-Methylpropyl 3-hydroxy-2-methylidenebutanoate

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  • Identifiers

    CAS number
    80758-68-5

    Molecular formula
    C9H16O3

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

  • Odor profile

    Fruity 48.08%
    Sweet 43.51%
    Herbal 40.57%
    Floral 35.01%
    Winey 29.1%
    Mint 28.78%
    Green 28.68%
    Woody 28.29%
    Fresh 27.26%
    Chamomile 26.68%

    Scent© AI

  • Properties

    XLogP3-AA
    1.6

    Molecular weight
    172.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    220°C

    Flash point est.
    82.41 ˚C

  • Synonyms

    • 2-methylpropyl 3-hydroxy-2-methylidenebutanoate
    • 80758-68-5
    • CHEBI:171944
    • YWLLUDSCDSOEDO-UHFFFAOYSA-N
    • DTXSID801253022
    • Isobutyl 2-(1-hydroxyethyl)acrylate #
    • Isobutyl 3-hydroxy-2-methylenebutanoate
    • 2-Methylpropyl 3-hydroxy-2-methylenebutanoate

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 554.61
    methanol 654.26
    isopropanol 551.43
    water 2.09
    ethyl acetate 146.88
    n-propanol 450.97
    acetone 288.1
    n-butanol 455.18
    acetonitrile 137.03
    DMF 469.88
    toluene 83.34
    isobutanol 382.67
    1,4-dioxane 430.11
    methyl acetate 175.64
    THF 614.21
    2-butanone 260.45
    n-pentanol 359.73
    sec-butanol 553.68
    n-hexane 41.57
    ethylene glycol 113.5
    NMP 455.3
    cyclohexane 48.72
    DMSO 394.17
    n-butyl acetate 232.73
    n-octanol 168.7
    chloroform 477.9
    n-propyl acetate 134.13
    acetic acid 509.09
    dichloromethane 304.84
    cyclohexanone 412.98
    propylene glycol 233.71
    isopropyl acetate 116.21
    DMAc 443.46
    2-ethoxyethanol 308.9
    isopentanol 419.43
    n-heptane 17.98
    ethyl formate 166.25
    1,2-dichloroethane 217.69
    n-hexanol 406.97
    2-methoxyethanol 482.18
    isobutyl acetate 110.14
    tetrachloromethane 66.63
    n-pentyl acetate 118.84
    transcutol 645.67
    n-heptanol 170.43
    ethylbenzene 87.62
    MIBK 154.3
    2-propoxyethanol 379.35
    tert-butanol 690.34
    MTBE 327.29
    2-butoxyethanol 225.5
    propionic acid 282.62
    o-xylene 95.06
    formic acid 179.11
    diethyl ether 164.75
    m-xylene 85.99
    p-xylene 127.68
    chlorobenzene 139.98
    dimethyl carbonate 55.83
    n-octane 9.79
    formamide 163.15
    cyclopentanone 395.63
    2-pentanone 193.14
    anisole 163.85
    cyclopentyl methyl ether 236.06
    gamma-butyrolactone 399.88
    1-methoxy-2-propanol 370.03
    pyridine 248.62
    3-pentanone 125.43
    furfural 366.02
    n-dodecane 8.88
    diethylene glycol 281.08
    diisopropyl ether 63.0
    tert-amyl alcohol 661.11
    acetylacetone 182.8
    n-hexadecane 9.91
    acetophenone 178.17
    methyl propionate 123.4
    isopentyl acetate 236.21
    trichloroethylene 471.65
    n-nonanol 137.26
    cyclohexanol 410.54
    benzyl alcohol 188.28
    2-ethylhexanol 207.77
    isooctanol 135.2
    dipropyl ether 95.75
    1,2-dichlorobenzene 147.22
    ethyl lactate 107.67
    propylene carbonate 264.01
    n-methylformamide 204.44
    2-pentanol 355.21
    n-pentane 32.03
    1-propoxy-2-propanol 282.17
    1-methoxy-2-propyl acetate 172.4
    2-(2-methoxypropoxy) propanol 215.29
    mesitylene 65.19
    ε-caprolactone 352.65
    p-cymene 65.26
    epichlorohydrin 397.32
    1,1,1-trichloroethane 223.81
    2-aminoethanol 251.94
    morpholine-4-carbaldehyde 382.69
    sulfolane 455.75
    2,2,4-trimethylpentane 31.45
    2-methyltetrahydrofuran 459.41
    n-hexyl acetate 203.01
    isooctane 20.71
    2-(2-butoxyethoxy)ethanol 284.25
    sec-butyl acetate 107.39
    tert-butyl acetate 163.32
    decalin 33.85
    glycerin 246.53
    diglyme 412.11
    acrylic acid 238.56
    isopropyl myristate 71.89
    n-butyric acid 386.71
    acetyl acetate 110.93
    di(2-ethylhexyl) phthalate 95.53
    ethyl propionate 107.93
    nitromethane 350.76
    1,2-diethoxyethane 157.39
    benzonitrile 170.45
    trioctyl phosphate 72.69
    1-bromopropane 141.14
    gamma-valerolactone 483.9
    n-decanol 97.72
    triethyl phosphate 75.26
    4-methyl-2-pentanol 185.66
    propionitrile 155.63
    vinylene carbonate 226.51
    1,1,2-trichlorotrifluoroethane 367.13
    DMS 112.42
    cumene 76.57
    2-octanol 126.26
    2-hexanone 190.83
    octyl acetate 102.12
    limonene 105.65
    1,2-dimethoxyethane 430.41
    ethyl orthosilicate 77.38
    tributyl phosphate 84.67
    diacetone alcohol 271.02
    N,N-dimethylaniline 140.36
    acrylonitrile 164.18
    aniline 164.83
    1,3-propanediol 375.66
    bromobenzene 117.86
    dibromomethane 232.51
    1,1,2,2-tetrachloroethane 466.97
    2-methyl-cyclohexyl acetate 154.22
    tetrabutyl urea 109.16
    diisobutyl methanol 106.3
    2-phenylethanol 202.18
    styrene 93.78
    dioctyl adipate 111.85
    dimethyl sulfate 105.89
    ethyl butyrate 130.04
    methyl lactate 119.67
    butyl lactate 141.36
    diethyl carbonate 91.87
    propanediol butyl ether 281.06
    triethyl orthoformate 100.8
    p-tert-butyltoluene 64.41
    methyl 4-tert-butylbenzoate 168.33
    morpholine 533.4
    tert-butylamine 408.23
    n-dodecanol 71.35
    dimethoxymethane 190.22
    ethylene carbonate 189.04
    cyrene 213.82
    2-ethoxyethyl acetate 141.21
    2-ethylhexyl acetate 181.08
    1,2,4-trichlorobenzene 186.26
    4-methylpyridine 278.93
    dibutyl ether 100.26
    2,6-dimethyl-4-heptanol 106.3
    DEF 217.23
    dimethyl isosorbide 272.9
    tetrachloroethylene 291.24
    eugenol 172.69
    triacetin 153.99
    span 80 212.08
    1,4-butanediol 171.97
    1,1-dichloroethane 244.28
    2-methyl-1-pentanol 360.66
    methyl formate 158.63
    2-methyl-1-butanol 400.81
    n-decane 14.73
    butyronitrile 214.71
    3,7-dimethyl-1-octanol 167.92
    1-chlorooctane 72.73
    1-chlorotetradecane 27.16
    n-nonane 14.18
    undecane 11.01
    tert-butylcyclohexane 33.72
    cyclooctane 16.09
    cyclopentanol 399.77
    tetrahydropyran 412.95
    tert-amyl methyl ether 247.38
    2,5,8-trioxanonane 283.99
    1-hexene 129.34
    2-isopropoxyethanol 230.57
    2,2,2-trifluoroethanol 134.9
    methyl butyrate 179.23

    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
Roman chamomile (Japan) 8015-92-7 Anthemis nobilis L., fam. Asteraceae (Compositae) 0.42%
Roman chamomile (Germany) 1a hydrodistillate 8015-92-7 Anthemis nobilis L., fam. Asteraceae (Compositae) 0.08%
Roman chamomile (Italy) 6 8015-92-7 Anthemis nobilis L., fam. Asteraceae (Compositae) 0.3%