3-Hydroxy-2-methylidenebutyl angelate

Overview IFRA Botanical Request a quote

  • Identifiers

    SMILES
    C\C=C(C)/C(=O)OCC(=C)C(C)O

  • Odor profile

    Sweet 45.61%
    Herbal 43.28%
    Floral 41.74%
    Fruity 39.2%
    Mint 33.98%
    Earthy 32.97%
    Green 32.65%
    Woody 32.29%
    Caramellic 30.19%
    Chamomile 29.88%

    Scent© AI

  • Properties

    pKa est.
    8.53 (weak base)

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    260°C

    Flash point est.
    108.65 ˚C

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 493.0
    methanol 605.24
    isopropanol 433.97
    water 2.49
    ethyl acetate 401.88
    n-propanol 374.4
    acetone 337.04
    n-butanol 367.01
    acetonitrile 265.81
    DMF 499.67
    toluene 125.59
    isobutanol 306.63
    1,4-dioxane 854.67
    methyl acetate 369.85
    THF 758.81
    2-butanone 386.69
    n-pentanol 322.43
    sec-butanol 503.04
    n-hexane 25.34
    ethylene glycol 61.47
    NMP 394.44
    cyclohexane 36.58
    DMSO 377.04
    n-butyl acetate 204.98
    n-octanol 108.54
    chloroform 495.94
    n-propyl acetate 224.88
    acetic acid 595.7
    dichloromethane 351.7
    cyclohexanone 450.36
    propylene glycol 126.48
    isopropyl acetate 233.88
    DMAc 663.41
    2-ethoxyethanol 476.28
    isopentanol 386.52
    n-heptane 9.39
    ethyl formate 192.21
    1,2-dichloroethane 278.68
    n-hexanol 257.21
    2-methoxyethanol 643.04
    isobutyl acetate 136.7
    tetrachloromethane 73.96
    n-pentyl acetate 116.14
    transcutol 1161.97
    n-heptanol 125.48
    ethylbenzene 98.71
    MIBK 208.39
    2-propoxyethanol 332.62
    tert-butanol 847.83
    MTBE 608.29
    2-butoxyethanol 207.74
    propionic acid 305.91
    o-xylene 119.32
    formic acid 231.03
    diethyl ether 385.82
    m-xylene 106.14
    p-xylene 149.66
    chlorobenzene 149.4
    dimethyl carbonate 93.95
    n-octane 5.48
    formamide 382.93
    cyclopentanone 399.78
    2-pentanone 289.94
    anisole 242.56
    cyclopentyl methyl ether 318.01
    gamma-butyrolactone 420.34
    1-methoxy-2-propanol 425.7
    pyridine 394.48
    3-pentanone 215.78
    furfural 390.71
    n-dodecane 5.44
    diethylene glycol 246.74
    diisopropyl ether 105.17
    tert-amyl alcohol 823.28
    acetylacetone 303.31
    n-hexadecane 6.14
    acetophenone 233.2
    methyl propionate 241.43
    isopentyl acetate 213.53
    trichloroethylene 566.18
    n-nonanol 99.3
    cyclohexanol 367.92
    benzyl alcohol 219.65
    2-ethylhexanol 142.9
    isooctanol 105.58
    dipropyl ether 87.47
    1,2-dichlorobenzene 149.62
    ethyl lactate 106.48
    propylene carbonate 235.64
    n-methylformamide 257.75
    2-pentanol 336.81
    n-pentane 21.78
    1-propoxy-2-propanol 215.91
    1-methoxy-2-propyl acetate 209.69
    2-(2-methoxypropoxy) propanol 240.76
    mesitylene 68.96
    ε-caprolactone 426.81
    p-cymene 49.8
    epichlorohydrin 512.73
    1,1,1-trichloroethane 274.64
    2-aminoethanol 196.94
    morpholine-4-carbaldehyde 558.31
    sulfolane 386.87
    2,2,4-trimethylpentane 27.03
    2-methyltetrahydrofuran 635.2
    n-hexyl acetate 188.24
    isooctane 17.16
    2-(2-butoxyethoxy)ethanol 341.13
    sec-butyl acetate 179.08
    tert-butyl acetate 284.83
    decalin 29.25
    glycerin 172.16
    diglyme 576.56
    acrylic acid 237.78
    isopropyl myristate 69.15
    n-butyric acid 400.44
    acetyl acetate 222.08
    di(2-ethylhexyl) phthalate 79.97
    ethyl propionate 177.25
    nitromethane 673.61
    1,2-diethoxyethane 265.6
    benzonitrile 172.9
    trioctyl phosphate 52.84
    1-bromopropane 155.54
    gamma-valerolactone 565.41
    n-decanol 69.58
    triethyl phosphate 81.71
    4-methyl-2-pentanol 185.08
    propionitrile 204.59
    vinylene carbonate 216.85
    1,1,2-trichlorotrifluoroethane 371.26
    DMS 143.78
    cumene 78.45
    2-octanol 86.18
    2-hexanone 249.37
    octyl acetate 90.84
    limonene 80.07
    1,2-dimethoxyethane 693.38
    ethyl orthosilicate 86.05
    tributyl phosphate 70.91
    diacetone alcohol 359.78
    N,N-dimethylaniline 171.12
    acrylonitrile 218.8
    aniline 213.5
    1,3-propanediol 341.83
    bromobenzene 128.21
    dibromomethane 242.27
    1,1,2,2-tetrachloroethane 507.4
    2-methyl-cyclohexyl acetate 150.01
    tetrabutyl urea 84.11
    diisobutyl methanol 78.34
    2-phenylethanol 189.83
    styrene 112.67
    dioctyl adipate 105.26
    dimethyl sulfate 152.22
    ethyl butyrate 144.55
    methyl lactate 122.18
    butyl lactate 110.42
    diethyl carbonate 103.52
    propanediol butyl ether 212.95
    triethyl orthoformate 113.07
    p-tert-butyltoluene 49.56
    methyl 4-tert-butylbenzoate 172.15
    morpholine 982.83
    tert-butylamine 471.15
    n-dodecanol 50.18
    dimethoxymethane 319.26
    ethylene carbonate 183.26
    cyrene 232.1
    2-ethoxyethyl acetate 188.53
    2-ethylhexyl acetate 158.72
    1,2,4-trichlorobenzene 197.5
    4-methylpyridine 412.71
    dibutyl ether 104.57
    2,6-dimethyl-4-heptanol 78.34
    DEF 359.22
    dimethyl isosorbide 332.85
    tetrachloroethylene 335.52
    eugenol 174.62
    triacetin 187.44
    span 80 194.72
    1,4-butanediol 132.41
    1,1-dichloroethane 288.33
    2-methyl-1-pentanol 357.41
    methyl formate 178.58
    2-methyl-1-butanol 373.92
    n-decane 9.4
    butyronitrile 208.41
    3,7-dimethyl-1-octanol 122.0
    1-chlorooctane 50.32
    1-chlorotetradecane 19.31
    n-nonane 7.94
    undecane 6.85
    tert-butylcyclohexane 29.04
    cyclooctane 11.49
    cyclopentanol 273.2
    tetrahydropyran 664.83
    tert-amyl methyl ether 425.12
    2,5,8-trioxanonane 384.89
    1-hexene 108.54
    2-isopropoxyethanol 328.6
    2,2,2-trifluoroethanol 156.78
    methyl butyrate 252.76

    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 (Japan) 8015-92-7 Anthemis nobilis L., fam. Asteraceae (Compositae) 0.1%