• Identifiers

    SMILES
    C/C=C(C)/C(=O)OC=CC(C)=C

  • Odor profile

    Fruity 76.04%
    Green 75.66%
    Herbal 56.38%
    Sweet 52.57%
    Spicy 37.69%
    Floral 37.5%
    Chamomile 36.85%
    Apple 35.88%
    Pungent 32.84%
    Mint 32.46%

    Scent© AI

  • Properties

    pKa est.
    7.61 (neutral)

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    230°C

    Flash point est.
    73.97 ˚C

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 814.38
    methanol 616.96
    isopropanol 772.68
    water 0.36
    ethyl acetate 1341.63
    n-propanol 770.63
    acetone 1352.74
    n-butanol 818.46
    acetonitrile 1029.01
    DMF 1404.79
    toluene 685.72
    isobutanol 715.33
    1,4-dioxane 1713.48
    methyl acetate 1208.18
    THF 2316.38
    2-butanone 1596.32
    n-pentanol 656.08
    sec-butanol 1136.38
    n-hexane 293.06
    ethylene glycol 49.59
    NMP 1497.47
    cyclohexane 292.99
    DMSO 632.37
    n-butyl acetate 925.61
    n-octanol 325.17
    chloroform 2397.88
    n-propyl acetate 834.16
    acetic acid 934.05
    dichloromethane 1825.14
    cyclohexanone 1797.89
    propylene glycol 141.64
    isopropyl acetate 853.8
    DMAc 1419.66
    2-ethoxyethanol 662.14
    isopentanol 853.49
    n-heptane 80.78
    ethyl formate 535.01
    1,2-dichloroethane 1387.23
    n-hexanol 711.69
    2-methoxyethanol 834.24
    isobutyl acetate 515.92
    tetrachloromethane 270.87
    n-pentyl acetate 454.92
    transcutol 2114.32
    n-heptanol 307.34
    ethylbenzene 492.96
    MIBK 736.5
    2-propoxyethanol 779.27
    tert-butanol 1250.11
    MTBE 1733.46
    2-butoxyethanol 435.99
    propionic acid 673.73
    o-xylene 440.2
    formic acid 169.9
    diethyl ether 1382.02
    m-xylene 456.29
    p-xylene 675.06
    chlorobenzene 821.18
    dimethyl carbonate 304.97
    n-octane 44.18
    formamide 346.51
    cyclopentanone 1767.83
    2-pentanone 1237.29
    anisole 865.17
    cyclopentyl methyl ether 1199.68
    gamma-butyrolactone 1659.94
    1-methoxy-2-propanol 718.26
    pyridine 1540.06
    3-pentanone 936.44
    furfural 1065.5
    n-dodecane 33.91
    diethylene glycol 355.58
    diisopropyl ether 473.14
    tert-amyl alcohol 1529.69
    acetylacetone 1034.03
    n-hexadecane 39.45
    acetophenone 757.95
    methyl propionate 844.48
    isopentyl acetate 884.45
    trichloroethylene 2712.09
    n-nonanol 291.1
    cyclohexanol 880.36
    benzyl alcohol 516.49
    2-ethylhexanol 473.03
    isooctanol 279.67
    dipropyl ether 447.14
    1,2-dichlorobenzene 691.17
    ethyl lactate 261.67
    propylene carbonate 909.31
    n-methylformamide 527.56
    2-pentanol 837.2
    n-pentane 191.02
    1-propoxy-2-propanol 616.82
    1-methoxy-2-propyl acetate 748.03
    2-(2-methoxypropoxy) propanol 524.42
    mesitylene 298.86
    ε-caprolactone 1542.22
    p-cymene 207.89
    epichlorohydrin 1924.33
    1,1,1-trichloroethane 1466.23
    2-aminoethanol 204.88
    morpholine-4-carbaldehyde 1255.51
    sulfolane 1308.4
    2,2,4-trimethylpentane 133.52
    2-methyltetrahydrofuran 2343.19
    n-hexyl acetate 759.14
    isooctane 101.84
    2-(2-butoxyethoxy)ethanol 711.27
    sec-butyl acetate 704.81
    tert-butyl acetate 961.78
    decalin 186.67
    glycerin 169.2
    diglyme 1166.08
    acrylic acid 475.06
    isopropyl myristate 282.97
    n-butyric acid 1007.73
    acetyl acetate 714.16
    di(2-ethylhexyl) phthalate 228.39
    ethyl propionate 757.85
    nitromethane 1484.75
    1,2-diethoxyethane 841.01
    benzonitrile 656.83
    trioctyl phosphate 157.45
    1-bromopropane 1004.69
    gamma-valerolactone 1725.08
    n-decanol 209.98
    triethyl phosphate 252.06
    4-methyl-2-pentanol 479.08
    propionitrile 812.66
    vinylene carbonate 752.43
    1,1,2-trichlorotrifluoroethane 830.73
    DMS 526.33
    cumene 312.68
    2-octanol 267.8
    2-hexanone 985.58
    octyl acetate 342.63
    limonene 350.11
    1,2-dimethoxyethane 1332.71
    ethyl orthosilicate 260.18
    tributyl phosphate 228.71
    diacetone alcohol 843.47
    N,N-dimethylaniline 544.56
    acrylonitrile 804.78
    aniline 642.0
    1,3-propanediol 393.41
    bromobenzene 856.9
    dibromomethane 1302.94
    1,1,2,2-tetrachloroethane 2228.39
    2-methyl-cyclohexyl acetate 523.56
    tetrabutyl urea 270.11
    diisobutyl methanol 250.39
    2-phenylethanol 521.24
    styrene 587.8
    dioctyl adipate 360.23
    dimethyl sulfate 411.18
    ethyl butyrate 613.06
    methyl lactate 271.6
    butyl lactate 304.63
    diethyl carbonate 401.34
    propanediol butyl ether 369.98
    triethyl orthoformate 394.52
    p-tert-butyltoluene 209.13
    methyl 4-tert-butylbenzoate 471.6
    morpholine 2155.7
    tert-butylamine 863.06
    n-dodecanol 155.47
    dimethoxymethane 748.22
    ethylene carbonate 668.1
    cyrene 438.28
    2-ethoxyethyl acetate 589.24
    2-ethylhexyl acetate 702.81
    1,2,4-trichlorobenzene 802.05
    4-methylpyridine 1722.86
    dibutyl ether 513.67
    2,6-dimethyl-4-heptanol 250.39
    DEF 1274.35
    dimethyl isosorbide 871.01
    tetrachloroethylene 1227.25
    eugenol 447.79
    triacetin 529.73
    span 80 464.12
    1,4-butanediol 159.65
    1,1-dichloroethane 1609.12
    2-methyl-1-pentanol 827.82
    methyl formate 376.02
    2-methyl-1-butanol 903.32
    n-decane 59.86
    butyronitrile 862.87
    3,7-dimethyl-1-octanol 378.9
    1-chlorooctane 271.07
    1-chlorotetradecane 100.34
    n-nonane 58.03
    undecane 43.99
    tert-butylcyclohexane 178.18
    cyclooctane 93.16
    cyclopentanol 800.74
    tetrahydropyran 2187.31
    tert-amyl methyl ether 1303.07
    2,5,8-trioxanonane 776.8
    1-hexene 832.05
    2-isopropoxyethanol 558.13
    2,2,2-trifluoroethanol 219.86
    methyl butyrate 1012.34

    Scent© AI

1 of 3
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
Name CAS Botanical Proportion
Roman chamomile (India) 8015-92-7 Anthemis nobilis L., fam. Asteraceae (Compositae) 0.05%
Manuka (New Zealand) 1 Leptospermum scoparium J.R. et F. Forst., fam. Myrtaceae 0.03%