3-Methylpentyl 3-hydroxy-2-methylenebutyrate

Overview IFRA Botanical Request a quote

  • Identifiers

    SMILES
    CCC(C)CCOC(=O)C(=C)C(C)O

  • Odor profile

    Herbal 45.37%
    Floral 45.21%
    Fruity 39.67%
    Woody 33.67%
    Mint 32.36%
    Fresh 32.07%
    Sweet 28.77%
    Odorless 28.55%
    Green 27.33%
    Warm 24.61%

    Scent© AI

  • Properties

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    264°C

    Flash point est.
    99.24 ˚C

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1258.68
    methanol 1461.16
    isopropanol 949.6
    water 0.4
    ethyl acetate 883.7
    n-propanol 911.84
    acetone 1077.09
    n-butanol 827.7
    acetonitrile 429.11
    DMF 1219.11
    toluene 152.17
    isobutanol 685.49
    1,4-dioxane 1239.34
    methyl acetate 658.24
    THF 1755.83
    2-butanone 930.39
    n-pentanol 586.62
    sec-butanol 928.22
    n-hexane 54.54
    ethylene glycol 130.15
    NMP 1094.63
    cyclohexane 67.2
    DMSO 1275.27
    n-butyl acetate 661.41
    n-octanol 188.79
    chloroform 869.96
    n-propyl acetate 445.03
    acetic acid 918.31
    dichloromethane 652.04
    cyclohexanone 1192.81
    propylene glycol 334.18
    isopropyl acetate 562.57
    DMAc 970.8
    2-ethoxyethanol 754.02
    isopentanol 798.24
    n-heptane 16.26
    ethyl formate 373.61
    1,2-dichloroethane 643.3
    n-hexanol 652.91
    2-methoxyethanol 1352.05
    isobutyl acetate 285.21
    tetrachloromethane 110.41
    n-pentyl acetate 273.17
    transcutol 2396.34
    n-heptanol 206.93
    ethylbenzene 126.03
    MIBK 490.96
    2-propoxyethanol 922.7
    tert-butanol 1494.1
    MTBE 984.05
    2-butoxyethanol 402.74
    propionic acid 614.52
    o-xylene 154.53
    formic acid 250.22
    diethyl ether 654.71
    m-xylene 171.75
    p-xylene 178.27
    chlorobenzene 293.17
    dimethyl carbonate 149.68
    n-octane 9.12
    formamide 377.34
    cyclopentanone 1226.61
    2-pentanone 766.53
    anisole 316.55
    cyclopentyl methyl ether 785.52
    gamma-butyrolactone 1316.26
    1-methoxy-2-propanol 1075.69
    pyridine 560.25
    3-pentanone 456.84
    furfural 740.55
    n-dodecane 8.26
    diethylene glycol 584.28
    diisopropyl ether 215.25
    tert-amyl alcohol 1349.76
    acetylacetone 733.16
    n-hexadecane 9.69
    acetophenone 308.45
    methyl propionate 536.43
    isopentyl acetate 613.37
    trichloroethylene 1171.26
    n-nonanol 163.71
    cyclohexanol 772.16
    benzyl alcohol 286.65
    2-ethylhexanol 306.61
    isooctanol 184.54
    dipropyl ether 210.19
    1,2-dichlorobenzene 276.64
    ethyl lactate 187.87
    propylene carbonate 585.89
    n-methylformamide 507.86
    2-pentanol 696.01
    n-pentane 35.01
    1-propoxy-2-propanol 652.21
    1-methoxy-2-propyl acetate 626.63
    2-(2-methoxypropoxy) propanol 426.41
    mesitylene 120.89
    ε-caprolactone 1039.51
    p-cymene 86.82
    epichlorohydrin 1337.88
    1,1,1-trichloroethane 594.69
    2-aminoethanol 397.83
    morpholine-4-carbaldehyde 1045.45
    sulfolane 1286.65
    2,2,4-trimethylpentane 38.51
    2-methyltetrahydrofuran 1441.19
    n-hexyl acetate 416.25
    isooctane 31.53
    2-(2-butoxyethoxy)ethanol 634.97
    sec-butyl acetate 354.64
    tert-butyl acetate 647.69
    decalin 45.85
    glycerin 370.94
    diglyme 992.79
    acrylic acid 378.62
    isopropyl myristate 136.03
    n-butyric acid 957.86
    acetyl acetate 412.15
    di(2-ethylhexyl) phthalate 146.13
    ethyl propionate 356.03
    nitromethane 1061.61
    1,2-diethoxyethane 611.81
    benzonitrile 288.01
    trioctyl phosphate 104.83
    1-bromopropane 338.53
    gamma-valerolactone 1425.82
    n-decanol 117.74
    triethyl phosphate 135.22
    4-methyl-2-pentanol 365.4
    propionitrile 372.79
    vinylene carbonate 435.54
    1,1,2-trichlorotrifluoroethane 767.3
    DMS 288.23
    cumene 103.38
    2-octanol 154.22
    2-hexanone 508.19
    octyl acetate 180.33
    limonene 150.77
    1,2-dimethoxyethane 1056.93
    ethyl orthosilicate 140.17
    tributyl phosphate 145.43
    diacetone alcohol 811.79
    N,N-dimethylaniline 214.77
    acrylonitrile 381.64
    aniline 327.31
    1,3-propanediol 721.56
    bromobenzene 260.79
    dibromomethane 461.47
    1,1,2,2-tetrachloroethane 1128.57
    2-methyl-cyclohexyl acetate 295.44
    tetrabutyl urea 170.57
    diisobutyl methanol 165.46
    2-phenylethanol 342.22
    styrene 140.66
    dioctyl adipate 204.88
    dimethyl sulfate 265.02
    ethyl butyrate 337.04
    methyl lactate 268.68
    butyl lactate 256.64
    diethyl carbonate 197.55
    propanediol butyl ether 436.16
    triethyl orthoformate 218.62
    p-tert-butyltoluene 90.5
    methyl 4-tert-butylbenzoate 273.18
    morpholine 1745.53
    tert-butylamine 735.62
    n-dodecanol 86.97
    dimethoxymethane 583.16
    ethylene carbonate 413.24
    cyrene 367.38
    2-ethoxyethyl acetate 404.09
    2-ethylhexyl acetate 424.23
    1,2,4-trichlorobenzene 343.75
    4-methylpyridine 601.76
    dibutyl ether 202.66
    2,6-dimethyl-4-heptanol 165.46
    DEF 753.53
    dimethyl isosorbide 670.74
    tetrachloroethylene 620.41
    eugenol 282.59
    triacetin 329.14
    span 80 376.75
    1,4-butanediol 249.63
    1,1-dichloroethane 656.95
    2-methyl-1-pentanol 596.27
    methyl formate 329.44
    2-methyl-1-butanol 719.71
    n-decane 13.89
    butyronitrile 439.32
    3,7-dimethyl-1-octanol 235.27
    1-chlorooctane 92.87
    1-chlorotetradecane 35.67
    n-nonane 12.46
    undecane 10.56
    tert-butylcyclohexane 45.4
    cyclooctane 19.8
    cyclopentanol 781.07
    tetrahydropyran 1327.67
    tert-amyl methyl ether 671.35
    2,5,8-trioxanonane 636.38
    1-hexene 228.46
    2-isopropoxyethanol 550.81
    2,2,2-trifluoroethanol 210.29
    methyl butyrate 515.54

    Scent© AI

1 3

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 (Germany) 1a hydrodistillate 8015-92-7 Anthemis nobilis L., fam. Asteraceae (Compositae) 0.66%