2-Butenyl Angelate

Overview IFRA Botanical Request a quote

  • Identifiers

    Molecular formula
    C9H14O2

    SMILES
    CC=CCOC(=O)/C(=C\C)/C

  • Odor profile

    Fruity 85.83%
    Green 69.55%
    Herbal 61.63%
    Sweet 56.01%
    Chamomile 49.84%
    Apple 49.11%
    Floral 48.32%
    Winey 39.51%
    Earthy 39.22%
    Spicy 37.49%

    Scent© AI

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    8.3 (weak base)

    Molecular weight
    154.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    198°C

    Flash point est.
    69.61 ˚C

  • Synonyms

    • 2-Butenyl Angelate
    • Q67879572

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1806.03
    methanol 1662.44
    isopropanol 1844.06
    water 1.95
    ethyl acetate 2570.03
    n-propanol 1732.73
    acetone 3035.61
    n-butanol 1883.23
    acetonitrile 3326.23
    DMF 2395.14
    toluene 1393.74
    isobutanol 1771.84
    1,4-dioxane 3250.67
    methyl acetate 2364.25
    THF 3057.66
    2-butanone 2976.97
    n-pentanol 1423.71
    sec-butanol 2387.65
    n-hexane 761.61
    ethylene glycol 146.45
    NMP 2211.92
    cyclohexane 1198.26
    DMSO 1396.44
    n-butyl acetate 1888.14
    n-octanol 903.4
    chloroform 7371.77
    n-propyl acetate 1818.58
    acetic acid 2411.49
    dichloromethane 5772.36
    cyclohexanone 3430.22
    propylene glycol 281.63
    isopropyl acetate 1423.68
    DMAc 2148.2
    2-ethoxyethanol 1288.13
    isopentanol 1895.62
    n-heptane 263.22
    ethyl formate 1335.42
    1,2-dichloroethane 3579.9
    n-hexanol 1392.95
    2-methoxyethanol 1530.01
    isobutyl acetate 997.65
    tetrachloromethane 1297.45
    n-pentyl acetate 1166.21
    transcutol 3638.89
    n-heptanol 774.72
    ethylbenzene 1046.88
    MIBK 1175.3
    2-propoxyethanol 1271.85
    tert-butanol 2992.05
    MTBE 3377.22
    2-butoxyethanol 907.42
    propionic acid 1679.3
    o-xylene 914.79
    formic acid 443.88
    diethyl ether 2955.95
    m-xylene 852.17
    p-xylene 1503.63
    chlorobenzene 2109.99
    dimethyl carbonate 545.5
    n-octane 156.92
    formamide 884.55
    cyclopentanone 3109.13
    2-pentanone 2200.9
    anisole 1648.18
    cyclopentyl methyl ether 1903.97
    gamma-butyrolactone 3096.7
    1-methoxy-2-propanol 1169.72
    pyridine 3798.05
    3-pentanone 1714.27
    furfural 2224.35
    n-dodecane 106.56
    diethylene glycol 582.52
    diisopropyl ether 883.37
    tert-amyl alcohol 3270.7
    acetylacetone 1713.12
    n-hexadecane 124.55
    acetophenone 1381.04
    methyl propionate 1508.56
    isopentyl acetate 1565.43
    trichloroethylene 6981.52
    n-nonanol 752.81
    cyclohexanol 2096.89
    benzyl alcohol 1097.74
    2-ethylhexanol 977.97
    isooctanol 671.17
    dipropyl ether 967.89
    1,2-dichlorobenzene 1692.92
    ethyl lactate 491.76
    propylene carbonate 1649.25
    n-methylformamide 1330.08
    2-pentanol 1734.04
    n-pentane 558.9
    1-propoxy-2-propanol 1007.87
    1-methoxy-2-propyl acetate 1007.28
    2-(2-methoxypropoxy) propanol 834.03
    mesitylene 602.32
    ε-caprolactone 2773.87
    p-cymene 463.65
    epichlorohydrin 3494.63
    1,1,1-trichloroethane 4423.31
    2-aminoethanol 473.64
    morpholine-4-carbaldehyde 1840.95
    sulfolane 2500.92
    2,2,4-trimethylpentane 316.9
    2-methyltetrahydrofuran 3407.83
    n-hexyl acetate 1710.18
    isooctane 220.06
    2-(2-butoxyethoxy)ethanol 1130.8
    sec-butyl acetate 1203.59
    tert-butyl acetate 1486.61
    decalin 436.36
    glycerin 316.95
    diglyme 2037.9
    acrylic acid 1345.86
    isopropyl myristate 568.09
    n-butyric acid 2397.17
    acetyl acetate 1439.9
    di(2-ethylhexyl) phthalate 431.37
    ethyl propionate 1427.56
    nitromethane 3569.13
    1,2-diethoxyethane 1766.41
    benzonitrile 1852.64
    trioctyl phosphate 317.84
    1-bromopropane 2660.58
    gamma-valerolactone 2911.76
    n-decanol 522.96
    triethyl phosphate 475.1
    4-methyl-2-pentanol 905.81
    propionitrile 2478.97
    vinylene carbonate 1592.84
    1,1,2-trichlorotrifluoroethane 1782.37
    DMS 953.49
    cumene 685.7
    2-octanol 697.54
    2-hexanone 1814.44
    octyl acetate 720.69
    limonene 713.37
    1,2-dimethoxyethane 2553.17
    ethyl orthosilicate 489.26
    tributyl phosphate 436.37
    diacetone alcohol 1210.68
    N,N-dimethylaniline 1034.13
    acrylonitrile 2591.89
    aniline 1498.89
    1,3-propanediol 915.55
    bromobenzene 2294.1
    dibromomethane 4222.05
    1,1,2,2-tetrachloroethane 5490.46
    2-methyl-cyclohexyl acetate 854.97
    tetrabutyl urea 522.43
    diisobutyl methanol 502.74
    2-phenylethanol 939.61
    styrene 1343.0
    dioctyl adipate 674.18
    dimethyl sulfate 705.38
    ethyl butyrate 1240.39
    methyl lactate 450.78
    butyl lactate 653.92
    diethyl carbonate 834.82
    propanediol butyl ether 764.56
    triethyl orthoformate 738.01
    p-tert-butyltoluene 429.74
    methyl 4-tert-butylbenzoate 889.67
    morpholine 3778.93
    tert-butylamine 2448.79
    n-dodecanol 380.8
    dimethoxymethane 1210.51
    ethylene carbonate 1363.9
    cyrene 713.75
    2-ethoxyethyl acetate 1177.0
    2-ethylhexyl acetate 1243.14
    1,2,4-trichlorobenzene 1787.27
    4-methylpyridine 3484.49
    dibutyl ether 1255.78
    2,6-dimethyl-4-heptanol 502.74
    DEF 2284.2
    dimethyl isosorbide 1255.75
    tetrachloroethylene 3637.19
    eugenol 877.17
    triacetin 1012.95
    span 80 812.92
    1,4-butanediol 383.45
    1,1-dichloroethane 4616.57
    2-methyl-1-pentanol 1646.22
    methyl formate 944.68
    2-methyl-1-butanol 1998.26
    n-decane 200.78
    butyronitrile 2667.18
    3,7-dimethyl-1-octanol 835.87
    1-chlorooctane 749.98
    1-chlorotetradecane 268.48
    n-nonane 215.58
    undecane 140.21
    tert-butylcyclohexane 393.47
    cyclooctane 296.87
    cyclopentanol 1646.54
    tetrahydropyran 4077.26
    tert-amyl methyl ether 2299.57
    2,5,8-trioxanonane 1246.29
    1-hexene 1848.99
    2-isopropoxyethanol 1022.99
    2,2,2-trifluoroethanol 618.55
    methyl butyrate 2047.19

    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 (Italy) 6 8015-92-7 Anthemis nobilis L., fam. Asteraceae (Compositae) 8.2%