(Z)-Pent-2-enyl butyrate

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    42125-13-3

    Molecular formula
    C9H16O2

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

    Retention indicies (RI)

    • Carbowax: 1317.0

  • Odor profile

    Fruity 96.49%
    Green 83.27%
    Apple 75.01%
    Pineapple 69.33%
    Tropical 67.54%
    Banana 56.56%
    Sweet 56.08%
    Pear 52.15%
    Fresh 51.64%
    Ripe 48.84%

    Scent© AI

  • Properties

    XLogP3-AA
    2.3

    Molecular weight
    156.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    188°C

    Flash point est.
    70.35 ˚C

  • Synonyms

    • (Z)-Pent-2-enyl butyrate
    • 42125-13-3
    • EINECS 255-667-2
    • (z)-2-penten-1-yl butyrate
    • (2Z)-2-Pentenyl butyrate #
    • (2Z)-2-Penten-1-yl butanoate
    • DTXSID601309285
    • Butanoic acid, 2-pentenyl ester, (Z)-
    • NS00056826

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4083.63
    methanol 5008.9
    isopropanol 3158.34
    water 1.07
    ethyl acetate 2842.21
    n-propanol 3038.97
    acetone 5084.87
    n-butanol 2961.33
    acetonitrile 3543.3
    DMF 5185.79
    toluene 1236.47
    isobutanol 2543.51
    1,4-dioxane 3520.91
    methyl acetate 2265.82
    THF 4328.7
    2-butanone 3178.32
    n-pentanol 2042.38
    sec-butanol 2833.99
    n-hexane 1027.97
    ethylene glycol 510.35
    NMP 3958.21
    cyclohexane 1149.84
    DMSO 4969.71
    n-butyl acetate 2456.89
    n-octanol 935.57
    chloroform 6574.7
    n-propyl acetate 1807.53
    acetic acid 4206.99
    dichloromethane 5792.08
    cyclohexanone 4363.55
    propylene glycol 792.21
    isopropyl acetate 1570.08
    DMAc 2984.67
    2-ethoxyethanol 1664.42
    isopentanol 2591.62
    n-heptane 301.65
    ethyl formate 1593.07
    1,2-dichloroethane 4042.26
    n-hexanol 2087.99
    2-methoxyethanol 2823.18
    isobutyl acetate 1003.47
    tetrachloromethane 1022.17
    n-pentyl acetate 1283.51
    transcutol 6000.13
    n-heptanol 731.21
    ethylbenzene 807.68
    MIBK 1385.27
    2-propoxyethanol 2133.05
    tert-butanol 3614.11
    MTBE 2862.05
    2-butoxyethanol 1071.03
    propionic acid 2425.78
    o-xylene 707.14
    formic acid 979.01
    diethyl ether 3206.15
    m-xylene 795.55
    p-xylene 1039.9
    chlorobenzene 2141.59
    dimethyl carbonate 626.06
    n-octane 123.05
    formamide 1294.01
    cyclopentanone 3826.97
    2-pentanone 2738.84
    anisole 1323.19
    cyclopentyl methyl ether 2450.59
    gamma-butyrolactone 3953.3
    1-methoxy-2-propanol 2159.84
    pyridine 3869.47
    3-pentanone 1828.56
    furfural 2786.78
    n-dodecane 88.74
    diethylene glycol 1301.17
    diisopropyl ether 790.42
    tert-amyl alcohol 3002.07
    acetylacetone 2265.75
    n-hexadecane 104.1
    acetophenone 1219.37
    methyl propionate 1852.15
    isopentyl acetate 1895.23
    trichloroethylene 6751.26
    n-nonanol 772.54
    cyclohexanol 2933.6
    benzyl alcohol 1112.77
    2-ethylhexanol 1194.13
    isooctanol 617.59
    dipropyl ether 1247.75
    1,2-dichlorobenzene 1648.89
    ethyl lactate 592.37
    propylene carbonate 2124.03
    n-methylformamide 2330.54
    2-pentanol 2239.93
    n-pentane 630.94
    1-propoxy-2-propanol 1659.98
    1-methoxy-2-propyl acetate 1384.91
    2-(2-methoxypropoxy) propanol 1082.69
    mesitylene 514.58
    ε-caprolactone 3194.81
    p-cymene 425.13
    epichlorohydrin 4017.51
    1,1,1-trichloroethane 3659.89
    2-aminoethanol 1234.9
    morpholine-4-carbaldehyde 2823.7
    sulfolane 4353.56
    2,2,4-trimethylpentane 251.68
    2-methyltetrahydrofuran 3845.19
    n-hexyl acetate 1843.8
    isooctane 190.02
    2-(2-butoxyethoxy)ethanol 1558.26
    sec-butyl acetate 1130.43
    tert-butyl acetate 1566.59
    decalin 410.25
    glycerin 907.41
    diglyme 2474.18
    acrylic acid 2092.62
    isopropyl myristate 584.37
    n-butyric acid 3743.34
    acetyl acetate 1536.41
    di(2-ethylhexyl) phthalate 514.4
    ethyl propionate 1417.59
    nitromethane 4765.4
    1,2-diethoxyethane 2139.02
    benzonitrile 1854.6
    trioctyl phosphate 377.73
    1-bromopropane 2955.29
    gamma-valerolactone 3842.83
    n-decanol 523.45
    triethyl phosphate 505.28
    4-methyl-2-pentanol 988.87
    propionitrile 2608.54
    vinylene carbonate 1925.52
    1,1,2-trichlorotrifluoroethane 2783.54
    DMS 1048.12
    cumene 493.29
    2-octanol 617.62
    2-hexanone 2045.85
    octyl acetate 770.48
    limonene 761.75
    1,2-dimethoxyethane 3066.33
    ethyl orthosilicate 517.18
    tributyl phosphate 556.4
    diacetone alcohol 1527.33
    N,N-dimethylaniline 870.0
    acrylonitrile 2864.7
    aniline 1672.43
    1,3-propanediol 1757.51
    bromobenzene 2299.68
    dibromomethane 4462.14
    1,1,2,2-tetrachloroethane 5692.89
    2-methyl-cyclohexyl acetate 937.79
    tetrabutyl urea 704.19
    diisobutyl methanol 587.38
    2-phenylethanol 1060.55
    styrene 1177.86
    dioctyl adipate 788.77
    dimethyl sulfate 982.37
    ethyl butyrate 1270.58
    methyl lactate 757.39
    butyl lactate 912.46
    diethyl carbonate 798.31
    propanediol butyl ether 1206.36
    triethyl orthoformate 778.49
    p-tert-butyltoluene 390.8
    methyl 4-tert-butylbenzoate 887.49
    morpholine 4640.89
    tert-butylamine 2641.84
    n-dodecanol 379.33
    dimethoxymethane 1960.79
    ethylene carbonate 1608.84
    cyrene 833.44
    2-ethoxyethyl acetate 1346.73
    2-ethylhexyl acetate 1399.67
    1,2,4-trichlorobenzene 1785.43
    4-methylpyridine 3753.77
    dibutyl ether 1424.23
    2,6-dimethyl-4-heptanol 587.38
    DEF 3142.19
    dimethyl isosorbide 1483.79
    tetrachloroethylene 3551.33
    eugenol 923.14
    triacetin 1237.31
    span 80 1105.25
    1,4-butanediol 730.41
    1,1-dichloroethane 4306.47
    2-methyl-1-pentanol 1806.69
    methyl formate 1494.83
    2-methyl-1-butanol 2490.92
    n-decane 167.11
    butyronitrile 3359.86
    3,7-dimethyl-1-octanol 906.24
    1-chlorooctane 698.96
    1-chlorotetradecane 240.75
    n-nonane 177.91
    undecane 116.97
    tert-butylcyclohexane 342.4
    cyclooctane 259.32
    cyclopentanol 2591.27
    tetrahydropyran 4829.46
    tert-amyl methyl ether 1886.33
    2,5,8-trioxanonane 1667.85
    1-hexene 2468.48
    2-isopropoxyethanol 1225.84
    2,2,2-trifluoroethanol 928.68
    methyl butyrate 2225.42

    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
Mango (Cameroon) headspace of ripe fruit 90063-86-0 Mangifera indica L., fam. Anacardiaceae 0.39%