(Z)-Pent-2-en-1-yl benzoate

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  • Identifiers

    CAS number
    65466-10-6

    Molecular formula
    C12H14O2

    SMILES
    CC/C=C\COC(=O)C1=CC=CC=C1

    Safety labels

  • Odor profile

    Fragrance
    Green 88.79%
    Balsamic 77.33%
    Floral 71.62%
    Herbal 65.2%
    Woody 58.14%
    Fruity 58.12%
    Sweet 55.43%
    Fresh 48.21%
    Leafy 40.95%
    Spicy 37.44%

     

    Flavor
    Balsam 56.85%
    Green 56.78%
    Floral 41.8%
    Fresh 37.41%
    Leaf 33.9%
    Fruity 31.15%
    Oily 30.29%
    Fatty 30.03%
    Spicy 28.8%
    Sweet 28.3%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    6.79 (neutral)

    Molecular weight
    190.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    263°C

    Flash point

    • 125.71 ˚C est.

  • Synonyms

    • (Z)-Pent-2-en-1-yl benzoate
    • 65466-10-6
    • 2-Penten-1-ol, 1-benzoate, (2Z)-
    • (2Z)-pent-2-en-1-yl benzoate
    • SCHEMBL15869143
    • CSDCIXOZTUVBQA-CLTKARDFSA-N
    • DTXSID901302121
    • NS00055331
    • 65466-10-6

  • Applications

    (Z)-Pent-2-en-1-yl benzoate is used in perfumery as a fragrance ingredient and fixative, and may act as a solvent or fragrance carrier in cosmetic and personal care products; it can also function as a fragrance component in household cleaning formulations. In coatings, inks and adhesives, it may serve as a solvent or processing aid, and may be an intermediate or formulation component in organic synthesis and specialty polymer-related applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1310.8
    methanol 1489.43
    isopropanol 654.33
    water 0.11
    ethyl acetate 2442.04
    n-propanol 971.39
    acetone 2183.86
    n-butanol 1029.17
    acetonitrile 2331.42
    DMF 3562.0
    toluene 1572.22
    isobutanol 748.08
    1,4-dioxane 1596.35
    methyl acetate 1727.77
    THF 1662.84
    2-butanone 2152.96
    n-pentanol 644.26
    sec-butanol 854.45
    n-hexane 148.64
    ethylene glycol 101.33
    NMP 1929.55
    cyclohexane 253.85
    DMSO 2432.16
    n-butyl acetate 1352.85
    n-octanol 229.52
    chloroform 4728.78
    n-propyl acetate 1228.07
    acetic acid 983.09
    dichloromethane 5631.87
    cyclohexanone 2502.5
    propylene glycol 172.52
    isopropyl acetate 1061.73
    DMAc 2359.59
    2-ethoxyethanol 797.53
    isopentanol 908.26
    n-heptane 50.4
    ethyl formate 832.93
    1,2-dichloroethane 4843.71
    n-hexanol 644.19
    2-methoxyethanol 1371.28
    isobutyl acetate 597.62
    tetrachloromethane 298.37
    n-pentyl acetate 564.75
    transcutol 4056.4
    n-heptanol 229.56
    ethylbenzene 598.23
    MIBK 874.24
    2-propoxyethanol 974.91
    tert-butanol 751.46
    MTBE 1158.7
    2-butoxyethanol 472.87
    propionic acid 749.49
    o-xylene 585.64
    formic acid 241.18
    diethyl ether 2182.17
    m-xylene 631.17
    p-xylene 580.79
    chlorobenzene 2022.23
    dimethyl carbonate 636.45
    n-octane 23.13
    formamide 686.49
    cyclopentanone 2193.78
    2-pentanone 1864.1
    anisole 1242.12
    cyclopentyl methyl ether 1184.96
    gamma-butyrolactone 2068.6
    1-methoxy-2-propanol 988.59
    pyridine 3080.42
    3-pentanone 1519.49
    furfural 1782.89
    n-dodecane 20.28
    diethylene glycol 507.05
    diisopropyl ether 392.92
    tert-amyl alcohol 808.87
    acetylacetone 1569.78
    n-hexadecane 24.63
    acetophenone 1071.64
    methyl propionate 1770.44
    isopentyl acetate 1022.86
    trichloroethylene 7332.29
    n-nonanol 211.31
    cyclohexanol 913.1
    benzyl alcohol 720.8
    2-ethylhexanol 375.62
    isooctanol 199.76
    dipropyl ether 482.54
    1,2-dichlorobenzene 1506.37
    ethyl lactate 325.55
    propylene carbonate 1137.92
    n-methylformamide 1317.41
    2-pentanol 719.56
    n-pentane 118.4
    1-propoxy-2-propanol 631.7
    1-methoxy-2-propyl acetate 857.21
    2-(2-methoxypropoxy) propanol 531.21
    mesitylene 301.96
    ε-caprolactone 1757.31
    p-cymene 191.06
    epichlorohydrin 3444.9
    1,1,1-trichloroethane 2531.84
    2-aminoethanol 344.18
    morpholine-4-carbaldehyde 1579.03
    sulfolane 2007.62
    2,2,4-trimethylpentane 63.11
    2-methyltetrahydrofuran 1511.79
    n-hexyl acetate 766.87
    isooctane 51.97
    2-(2-butoxyethoxy)ethanol 825.94
    sec-butyl acetate 737.98
    tert-butyl acetate 905.43
    decalin 113.54
    glycerin 234.01
    diglyme 1609.26
    acrylic acid 694.71
    isopropyl myristate 244.23
    n-butyric acid 1304.48
    acetyl acetate 1025.99
    di(2-ethylhexyl) phthalate 198.21
    ethyl propionate 1038.43
    nitromethane 2530.9
    1,2-diethoxyethane 1364.31
    benzonitrile 1298.47
    trioctyl phosphate 142.48
    1-bromopropane 2450.13
    gamma-valerolactone 2133.39
    n-decanol 152.41
    triethyl phosphate 256.42
    4-methyl-2-pentanol 338.07
    propionitrile 1685.45
    vinylene carbonate 1121.05
    1,1,2-trichlorotrifluoroethane 1491.83
    DMS 753.53
    cumene 278.47
    2-octanol 173.72
    2-hexanone 1171.86
    octyl acetate 312.36
    limonene 294.48
    1,2-dimethoxyethane 1563.81
    ethyl orthosilicate 241.7
    tributyl phosphate 219.28
    diacetone alcohol 805.2
    N,N-dimethylaniline 575.8
    acrylonitrile 2278.86
    aniline 1389.0
    1,3-propanediol 578.25
    bromobenzene 2336.16
    dibromomethane 3644.05
    1,1,2,2-tetrachloroethane 5372.1
    2-methyl-cyclohexyl acetate 437.05
    tetrabutyl urea 296.39
    diisobutyl methanol 192.7
    2-phenylethanol 617.38
    styrene 1034.26
    dioctyl adipate 351.34
    dimethyl sulfate 810.34
    ethyl butyrate 768.38
    methyl lactate 440.16
    butyl lactate 375.06
    diethyl carbonate 503.81
    propanediol butyl ether 431.59
    triethyl orthoformate 381.19
    p-tert-butyltoluene 168.85
    methyl 4-tert-butylbenzoate 435.52
    morpholine 2205.51
    tert-butylamine 514.08
    n-dodecanol 113.73
    dimethoxymethane 1712.19
    ethylene carbonate 902.92
    cyrene 395.52
    2-ethoxyethyl acetate 861.32
    2-ethylhexyl acetate 777.01
    1,2,4-trichlorobenzene 1576.87
    4-methylpyridine 3202.99
    dibutyl ether 517.42
    2,6-dimethyl-4-heptanol 192.7
    DEF 2510.83
    dimethyl isosorbide 811.18
    tetrachloroethylene 2732.75
    eugenol 487.55
    triacetin 568.94
    span 80 391.31
    1,4-butanediol 181.09
    1,1-dichloroethane 3741.72
    2-methyl-1-pentanol 652.15
    methyl formate 815.18
    2-methyl-1-butanol 940.93
    n-decane 33.95
    butyronitrile 1684.77
    3,7-dimethyl-1-octanol 287.42
    1-chlorooctane 241.13
    1-chlorotetradecane 82.57
    n-nonane 32.56
    undecane 25.07
    tert-butylcyclohexane 88.75
    cyclooctane 67.74
    cyclopentanol 583.09
    tetrahydropyran 2167.48
    tert-amyl methyl ether 910.7
    2,5,8-trioxanonane 968.31
    1-hexene 699.29
    2-isopropoxyethanol 563.33
    2,2,2-trifluoroethanol 252.05
    methyl butyrate 1496.64

    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