4-Pentenyl acetate

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  • Identifiers

    CAS number
    1576-85-8

    Molecular formula
    C7H12O2

    SMILES
    CC(=O)OCCCC=C

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 94.43%
    Green 78.69%
    Ethereal 50.07%
    Tropical 45.71%
    Pungent 44.42%
    Banana 41.16%
    Sharp 40.24%
    Sweet 38.58%
    Fresh 38.29%
    Pineapple 38.1%

     

    Flavor
    Fruity 66.01%
    Green 49.7%
    Fresh 46.36%
    Sweet 45.74%
    Ethereal 37.31%
    Banana 34.84%
    Tropical 33.06%
    Apple 30.43%
    Fruit 30.31%
    Pineapple 27.42%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    8.08 (weak base)

    Molecular weight
    128.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    147°C

    Flash point

    • 45.47 ˚C est.

    Solubility expt.

    • insoluble in water; soluble in most non-polar solvents
    • soluble (in ethanol)

  • Synonyms

    • 4-Pentenyl acetate
    • 4-Penten-1-yl acetate
    • 1576-85-8
    • 4-Penten-1-ol, 1-acetate
    • 5-Acetoxy-1-pentene
    • pent-4-enyl acetate
    • pent-4-en-1-yl acetate
    • UNII-V4SIF0MABV
    • V4SIF0MABV
    • 4-Penten-1-ol acetate
    • CH3C(O)O(CH2)3CH=CH2
    • Pent-4-ene-1-yl acetate
    • Acetic Acid 4-Pentenyl Ester
    • EINECS 216-413-6
    • NSC-102504
    • 1-ACETOXY-4-PENTENE
    • FEMA NO. 4011
    • CHEBI:87515
    • DTXSID60166292
    • 4-PENTENYL ACETATE [FHFI]
    • NSC 102504
    • MFCD00008723
    • NSC102504
    • 4-Pentenyl acetate #
    • starbld0000314
    • SCHEMBL2838452
    • DTXCID2088783
    • AKOS015892983
    • AS-77899
    • CS-0320872
    • NS00021705
    • D88422
    • 4-Pentenyl acetate, analytical reference material
    • Q27159688
    • 216-413-6

  • Applications

    4-Pentenyl acetate (CAS 1576-85-8) is commonly used as an aroma chemical in perfumery and fragrance formulations, serving as a fragrance ingredient and, in some cases, a fixative. In cosmetics and personal care, it is typically employed as a fragrance ingredient or as a synthetic precursor for fragrance components. In household products, it provides scent contributions in air fresheners and cleaners. In industrial manufacturing, it serves as an intermediate and potential monomer for polymers and coatings/inks, leveraging its vinyl functionality to participate in polymerization or cross-linking. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 875.45
    methanol 1361.83
    isopropanol 616.38
    water 10.97
    ethyl acetate 266.27
    n-propanol 594.1
    acetone 635.52
    n-butanol 499.89
    acetonitrile 394.01
    DMF 1401.47
    toluene 136.28
    isobutanol 395.81
    1,4-dioxane 630.97
    methyl acetate 333.06
    THF 685.05
    2-butanone 435.2
    n-pentanol 346.87
    sec-butanol 464.25
    n-hexane 81.2
    ethylene glycol 275.84
    NMP 893.19
    cyclohexane 65.65
    DMSO 995.48
    n-butyl acetate 178.59
    n-octanol 123.65
    chloroform 591.52
    n-propyl acetate 160.25
    acetic acid 861.93
    dichloromethane 469.62
    cyclohexanone 533.46
    propylene glycol 321.21
    isopropyl acetate 159.37
    DMAc 1094.0
    2-ethoxyethanol 469.2
    isopentanol 371.16
    n-heptane 23.03
    ethyl formate 219.77
    1,2-dichloroethane 303.97
    n-hexanol 266.99
    2-methoxyethanol 842.14
    isobutyl acetate 108.64
    tetrachloromethane 101.81
    n-pentyl acetate 116.32
    transcutol 1180.58
    n-heptanol 91.17
    ethylbenzene 86.49
    MIBK 165.77
    2-propoxyethanol 427.74
    tert-butanol 600.09
    MTBE 353.76
    2-butoxyethanol 187.63
    propionic acid 502.55
    o-xylene 111.49
    formic acid 423.96
    diethyl ether 328.15
    m-xylene 104.47
    p-xylene 114.51
    chlorobenzene 189.14
    dimethyl carbonate 102.75
    n-octane 9.18
    formamide 403.81
    cyclopentanone 540.98
    2-pentanone 291.24
    anisole 192.68
    cyclopentyl methyl ether 323.55
    gamma-butyrolactone 564.68
    1-methoxy-2-propanol 529.36
    pyridine 427.48
    3-pentanone 219.29
    furfural 499.15
    n-dodecane 8.98
    diethylene glycol 387.88
    diisopropyl ether 74.95
    tert-amyl alcohol 483.17
    acetylacetone 289.27
    n-hexadecane 10.04
    acetophenone 187.78
    methyl propionate 234.94
    isopentyl acetate 168.07
    trichloroethylene 536.48
    n-nonanol 103.24
    cyclohexanol 384.71
    benzyl alcohol 200.17
    2-ethylhexanol 136.68
    isooctanol 73.16
    dipropyl ether 114.86
    1,2-dichlorobenzene 172.24
    ethyl lactate 109.26
    propylene carbonate 273.08
    n-methylformamide 530.3
    2-pentanol 289.93
    n-pentane 54.79
    1-propoxy-2-propanol 253.09
    1-methoxy-2-propyl acetate 190.78
    2-(2-methoxypropoxy) propanol 263.1
    mesitylene 65.94
    ε-caprolactone 422.7
    p-cymene 50.7
    epichlorohydrin 468.51
    1,1,1-trichloroethane 278.43
    2-aminoethanol 449.18
    morpholine-4-carbaldehyde 719.26
    sulfolane 684.3
    2,2,4-trimethylpentane 32.02
    2-methyltetrahydrofuran 538.67
    n-hexyl acetate 204.09
    isooctane 18.5
    2-(2-butoxyethoxy)ethanol 334.97
    sec-butyl acetate 118.22
    tert-butyl acetate 187.53
    decalin 38.0
    glycerin 389.87
    diglyme 494.08
    acrylic acid 452.67
    isopropyl myristate 69.62
    n-butyric acid 469.05
    acetyl acetate 169.71
    di(2-ethylhexyl) phthalate 95.83
    ethyl propionate 150.18
    nitromethane 831.03
    1,2-diethoxyethane 261.75
    benzonitrile 234.66
    trioctyl phosphate 58.77
    1-bromopropane 226.02
    gamma-valerolactone 664.05
    n-decanol 73.88
    triethyl phosphate 73.32
    4-methyl-2-pentanol 138.47
    propionitrile 313.37
    vinylene carbonate 257.03
    1,1,2-trichlorotrifluoroethane 492.49
    DMS 162.17
    cumene 64.28
    2-octanol 65.87
    2-hexanone 215.5
    octyl acetate 92.1
    limonene 86.62
    1,2-dimethoxyethane 616.11
    ethyl orthosilicate 74.31
    tributyl phosphate 84.7
    diacetone alcohol 266.42
    N,N-dimethylaniline 150.94
    acrylonitrile 364.59
    aniline 246.85
    1,3-propanediol 519.99
    bromobenzene 171.93
    dibromomethane 326.95
    1,1,2,2-tetrachloroethane 511.71
    2-methyl-cyclohexyl acetate 124.92
    tetrabutyl urea 111.55
    diisobutyl methanol 73.18
    2-phenylethanol 166.2
    styrene 115.57
    dioctyl adipate 122.9
    dimethyl sulfate 210.1
    ethyl butyrate 116.41
    methyl lactate 176.2
    butyl lactate 124.26
    diethyl carbonate 86.72
    propanediol butyl ether 257.93
    triethyl orthoformate 95.08
    p-tert-butyltoluene 51.32
    methyl 4-tert-butylbenzoate 154.85
    morpholine 799.09
    tert-butylamine 372.09
    n-dodecanol 55.63
    dimethoxymethane 373.47
    ethylene carbonate 208.16
    cyrene 229.92
    2-ethoxyethyl acetate 178.62
    2-ethylhexyl acetate 134.9
    1,2,4-trichlorobenzene 224.94
    4-methylpyridine 425.91
    dibutyl ether 124.86
    2,6-dimethyl-4-heptanol 73.18
    DEF 444.95
    dimethyl isosorbide 310.1
    tetrachloroethylene 346.15
    eugenol 164.75
    triacetin 202.96
    span 80 218.68
    1,4-butanediol 222.55
    1,1-dichloroethane 330.01
    2-methyl-1-pentanol 296.13
    methyl formate 306.69
    2-methyl-1-butanol 377.86
    n-decane 14.79
    butyronitrile 323.84
    3,7-dimethyl-1-octanol 124.57
    1-chlorooctane 62.03
    1-chlorotetradecane 25.81
    n-nonane 14.45
    undecane 11.18
    tert-butylcyclohexane 37.55
    cyclooctane 18.67
    cyclopentanol 420.77
    tetrahydropyran 536.38
    tert-amyl methyl ether 280.06
    2,5,8-trioxanonane 390.29
    1-hexene 212.11
    2-isopropoxyethanol 285.05
    2,2,2-trifluoroethanol 232.27
    methyl butyrate 215.1

    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