2-Butenoic acid, 2-methyl-, pentyl ester, (2Z)-

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    7785-63-9

    Molecular formula
    C10H18O2

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

  • Odor profile

    Fruity 87.78%
    Floral 75.84%
    Herbal 70.28%
    Sweet 60.22%
    Green 57.79%
    Chamomile 54.98%
    Apple 53.39%
    Winey 48.26%
    Rose 45.83%
    Jasmin 41.29%

    Scent© AI

  • Properties

    XLogP3-AA
    3.1

    Molecular weight
    170.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    210°C

    Flash point est.
    74.51 ˚C

  • Synonyms

    • Pentyl 2-methylisocrotonate
    • 7785-63-9
    • pentyl (Z)-2-methylbut-2-enoate
    • Pentyl 2-methyl-2-butenoate
    • 2-Butenoic acid, 2-methyl-, pentyl ester, (2Z)-
    • EINECS 232-083-6
    • AI3-33334
    • DTXSID70884430
    • 2-Butenoic acid, 2-methyl-, pentyl ester, (Z)-
    • 2-Butenoic acid, 2-methyl-, pentyl ester, (E)-
    • Pentyl angelate
    • SCHEMBL10602340
    • DTXCID801023871
    • pentyl (z)-2-methyl-2-butenoate
    • Pentyl (2Z)-2-methyl-2-butenoate
    • AKOS006275601
    • NS00044685
    • Q67880047
    • 232-083-6

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5998.93
    methanol 6778.89
    isopropanol 5038.53
    water 0.85
    ethyl acetate 6106.73
    n-propanol 5011.32
    acetone 7675.46
    n-butanol 5120.58
    acetonitrile 7365.75
    DMF 6246.44
    toluene 2657.99
    isobutanol 4554.79
    1,4-dioxane 6360.87
    methyl acetate 4583.73
    THF 5354.73
    2-butanone 6472.34
    n-pentanol 3625.24
    sec-butanol 5549.44
    n-hexane 1621.38
    ethylene glycol 415.25
    NMP 4324.15
    cyclohexane 2044.81
    DMSO 4391.2
    n-butyl acetate 5796.2
    n-octanol 1843.31
    chloroform 12629.03
    n-propyl acetate 4142.62
    acetic acid 5314.85
    dichloromethane 10531.45
    cyclohexanone 7735.19
    propylene glycol 755.44
    isopropyl acetate 3470.35
    DMAc 4122.48
    2-ethoxyethanol 2965.92
    isopentanol 5269.51
    n-heptane 492.92
    ethyl formate 3171.46
    1,2-dichloroethane 7630.23
    n-hexanol 4171.18
    2-methoxyethanol 4233.88
    isobutyl acetate 2245.35
    tetrachloromethane 2325.55
    n-pentyl acetate 2963.85
    transcutol 9464.68
    n-heptanol 1710.64
    ethylbenzene 1833.12
    MIBK 2658.73
    2-propoxyethanol 3755.93
    tert-butanol 6826.96
    MTBE 7674.35
    2-butoxyethanol 2246.53
    propionic acid 3591.51
    o-xylene 1638.64
    formic acid 1039.52
    diethyl ether 6842.53
    m-xylene 1621.53
    p-xylene 2482.94
    chlorobenzene 4217.51
    dimethyl carbonate 909.53
    n-octane 262.72
    formamide 1796.19
    cyclopentanone 5820.59
    2-pentanone 5197.09
    anisole 2824.04
    cyclopentyl methyl ether 3771.3
    gamma-butyrolactone 5586.69
    1-methoxy-2-propanol 3081.18
    pyridine 7209.56
    3-pentanone 3582.56
    furfural 4421.29
    n-dodecane 169.08
    diethylene glycol 1616.67
    diisopropyl ether 1834.5
    tert-amyl alcohol 7139.75
    acetylacetone 3738.36
    n-hexadecane 199.55
    acetophenone 2458.53
    methyl propionate 3318.68
    isopentyl acetate 4566.0
    trichloroethylene 13317.7
    n-nonanol 1486.19
    cyclohexanol 5057.22
    benzyl alcohol 2176.42
    2-ethylhexanol 2537.61
    isooctanol 1481.81
    dipropyl ether 2340.75
    1,2-dichlorobenzene 3355.23
    ethyl lactate 948.7
    propylene carbonate 3076.78
    n-methylformamide 3252.74
    2-pentanol 4259.98
    n-pentane 1061.46
    1-propoxy-2-propanol 2906.61
    1-methoxy-2-propyl acetate 2624.28
    2-(2-methoxypropoxy) propanol 1655.99
    mesitylene 1045.43
    ε-caprolactone 5922.08
    p-cymene 907.95
    epichlorohydrin 6849.69
    1,1,1-trichloroethane 8118.78
    2-aminoethanol 1346.99
    morpholine-4-carbaldehyde 3930.95
    sulfolane 4713.24
    2,2,4-trimethylpentane 517.87
    2-methyltetrahydrofuran 6002.62
    n-hexyl acetate 3685.82
    isooctane 392.54
    2-(2-butoxyethoxy)ethanol 2593.64
    sec-butyl acetate 2649.4
    tert-butyl acetate 3165.19
    decalin 753.85
    glycerin 793.71
    diglyme 4431.58
    acrylic acid 2592.98
    isopropyl myristate 1082.71
    n-butyric acid 5919.47
    acetyl acetate 2788.85
    di(2-ethylhexyl) phthalate 824.51
    ethyl propionate 2932.72
    nitromethane 7186.2
    1,2-diethoxyethane 4665.85
    benzonitrile 3917.1
    trioctyl phosphate 633.88
    1-bromopropane 5852.76
    gamma-valerolactone 5981.59
    n-decanol 985.99
    triethyl phosphate 818.92
    4-methyl-2-pentanol 2036.47
    propionitrile 5414.92
    vinylene carbonate 3082.97
    1,1,2-trichlorotrifluoroethane 3889.33
    DMS 1761.44
    cumene 1132.49
    2-octanol 1476.3
    2-hexanone 4094.42
    octyl acetate 1387.9
    limonene 1497.0
    1,2-dimethoxyethane 5736.32
    ethyl orthosilicate 885.37
    tributyl phosphate 911.68
    diacetone alcohol 2575.53
    N,N-dimethylaniline 1723.88
    acrylonitrile 5349.53
    aniline 3129.56
    1,3-propanediol 2478.35
    bromobenzene 4751.42
    dibromomethane 7853.77
    1,1,2,2-tetrachloroethane 10587.05
    2-methyl-cyclohexyl acetate 1693.45
    tetrabutyl urea 1084.59
    diisobutyl methanol 1156.99
    2-phenylethanol 2150.94
    styrene 2486.65
    dioctyl adipate 1246.5
    dimethyl sulfate 1170.13
    ethyl butyrate 2874.4
    methyl lactate 927.57
    butyl lactate 1638.9
    diethyl carbonate 1617.78
    propanediol butyl ether 1941.41
    triethyl orthoformate 1530.43
    p-tert-butyltoluene 835.98
    methyl 4-tert-butylbenzoate 1557.44
    morpholine 7955.43
    tert-butylamine 5419.33
    n-dodecanol 686.27
    dimethoxymethane 2818.06
    ethylene carbonate 2695.79
    cyrene 1185.61
    2-ethoxyethyl acetate 2868.21
    2-ethylhexyl acetate 3468.18
    1,2,4-trichlorobenzene 3322.38
    4-methylpyridine 7595.2
    dibutyl ether 2851.33
    2,6-dimethyl-4-heptanol 1156.99
    DEF 5353.69
    dimethyl isosorbide 2348.47
    tetrachloroethylene 6818.41
    eugenol 1629.64
    triacetin 1930.08
    span 80 1746.9
    1,4-butanediol 1046.51
    1,1-dichloroethane 9448.7
    2-methyl-1-pentanol 3802.86
    methyl formate 2126.12
    2-methyl-1-butanol 5144.16
    n-decane 339.95
    butyronitrile 6713.71
    3,7-dimethyl-1-octanol 1872.21
    1-chlorooctane 1456.3
    1-chlorotetradecane 461.51
    n-nonane 366.44
    undecane 228.67
    tert-butylcyclohexane 685.91
    cyclooctane 471.82
    cyclopentanol 3508.8
    tetrahydropyran 8515.94
    tert-amyl methyl ether 4748.51
    2,5,8-trioxanonane 2475.22
    1-hexene 4405.35
    2-isopropoxyethanol 2335.5
    2,2,2-trifluoroethanol 1122.06
    methyl butyrate 4624.29

    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) 0.12%
Roman chamomile (Germany) 1a hydrodistillate 8015-92-7 Anthemis nobilis L., fam. Asteraceae (Compositae) 0.07%
Roman chamomile (Germany) 1b headspace 8015-92-7 Anthemis nobilis L., fam. Asteraceae (Compositae) 0.01%