Pentenyl acetic acid

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  • Identifiers

    CAS number
    29901-85-7

    Molecular formula
    C7H12O2

    SMILES
    CCCC=CCC(=O)O

    Safety labels

    Corrosive
    Corrosive

  • Odor profile

    Fruity 90.89%
    Green 90.46%
    Fatty 74.17%
    Waxy 68.31%
    Dairy 55.96%
    Cheesy 49.44%
    Melon 47.97%
    Oily 38.69%
    Tropical 36.19%
    Sweaty 33.75%

    Scent© AI

  • Properties

    XLogP3-AA
    1.7

    Molecular weight
    128.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    227°C

    Flash point est.
    99.51 ˚C

  • Synonyms

    • 3-HEPTENOIC ACID
    • 29901-85-7
    • pentenyl acetic acid
    • (E)-3-Heptenoic acid
    • ?-HEPTENOIC ACID
    • DTXSID701316554
    • SY052325
    • DB-128374
    • NS00084450
    • D90865

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 394.66
    methanol 699.84
    isopropanol 176.9
    water 9.81
    ethyl acetate 104.56
    n-propanol 255.64
    acetone 352.14
    n-butanol 205.27
    acetonitrile 63.47
    DMF 996.79
    toluene 27.59
    isobutanol 190.05
    1,4-dioxane 127.61
    methyl acetate 98.76
    THF 565.97
    2-butanone 186.6
    n-pentanol 165.04
    sec-butanol 164.03
    n-hexane 22.63
    ethylene glycol 293.68
    NMP 1050.59
    cyclohexane 8.69
    DMSO 1607.31
    n-butyl acetate 176.7
    n-octanol 88.79
    chloroform 55.19
    n-propyl acetate 115.24
    acetic acid 393.73
    dichloromethane 59.7
    cyclohexanone 328.54
    propylene glycol 330.62
    isopropyl acetate 93.06
    DMAc 579.68
    2-ethoxyethanol 287.19
    isopentanol 216.59
    n-heptane 10.1
    ethyl formate 105.93
    1,2-dichloroethane 86.97
    n-hexanol 215.04
    2-methoxyethanol 528.96
    isobutyl acetate 80.2
    tetrachloromethane 26.8
    n-pentyl acetate 90.3
    transcutol 1048.86
    n-heptanol 84.59
    ethylbenzene 30.75
    MIBK 155.48
    2-propoxyethanol 358.39
    tert-butanol 319.7
    MTBE 129.22
    2-butoxyethanol 185.51
    propionic acid 287.63
    o-xylene 40.47
    formic acid 286.13
    diethyl ether 53.47
    m-xylene 45.3
    p-xylene 39.54
    chlorobenzene 49.09
    dimethyl carbonate 88.77
    n-octane 3.59
    formamide 324.79
    cyclopentanone 657.98
    2-pentanone 199.94
    anisole 97.11
    cyclopentyl methyl ether 244.15
    gamma-butyrolactone 619.07
    1-methoxy-2-propanol 402.17
    pyridine 104.71
    3-pentanone 112.0
    furfural 417.27
    n-dodecane 2.93
    diethylene glycol 353.59
    diisopropyl ether 38.02
    tert-amyl alcohol 304.39
    acetylacetone 245.85
    n-hexadecane 3.28
    acetophenone 129.92
    methyl propionate 142.56
    isopentyl acetate 168.8
    trichloroethylene 171.53
    n-nonanol 71.29
    cyclohexanol 180.36
    benzyl alcohol 120.12
    2-ethylhexanol 116.62
    isooctanol 70.36
    dipropyl ether 69.37
    1,2-dichlorobenzene 69.43
    ethyl lactate 106.43
    propylene carbonate 274.58
    n-methylformamide 430.0
    2-pentanol 126.3
    n-pentane 8.94
    1-propoxy-2-propanol 263.3
    1-methoxy-2-propyl acetate 200.91
    2-(2-methoxypropoxy) propanol 238.54
    mesitylene 39.88
    ε-caprolactone 290.6
    p-cymene 32.13
    epichlorohydrin 374.74
    1,1,1-trichloroethane 78.04
    2-aminoethanol 443.95
    morpholine-4-carbaldehyde 509.93
    sulfolane 1226.05
    2,2,4-trimethylpentane 13.25
    2-methyltetrahydrofuran 336.66
    n-hexyl acetate 157.64
    isooctane 11.38
    2-(2-butoxyethoxy)ethanol 331.42
    sec-butyl acetate 77.58
    tert-butyl acetate 164.81
    decalin 14.08
    glycerin 452.82
    diglyme 419.11
    acrylic acid 280.27
    isopropyl myristate 50.15
    n-butyric acid 287.16
    acetyl acetate 76.03
    di(2-ethylhexyl) phthalate 77.98
    ethyl propionate 98.49
    nitromethane 441.64
    1,2-diethoxyethane 132.73
    benzonitrile 89.0
    trioctyl phosphate 58.99
    1-bromopropane 33.32
    gamma-valerolactone 567.61
    n-decanol 51.91
    triethyl phosphate 63.13
    4-methyl-2-pentanol 102.93
    propionitrile 74.35
    vinylene carbonate 177.74
    1,1,2-trichlorotrifluoroethane 423.1
    DMS 129.39
    cumene 34.42
    2-octanol 55.57
    2-hexanone 162.97
    octyl acetate 73.34
    limonene 53.09
    1,2-dimethoxyethane 308.31
    ethyl orthosilicate 60.16
    tributyl phosphate 77.63
    diacetone alcohol 346.58
    N,N-dimethylaniline 96.38
    acrylonitrile 111.76
    aniline 93.77
    1,3-propanediol 371.28
    bromobenzene 39.68
    dibromomethane 42.65
    1,1,2,2-tetrachloroethane 168.53
    2-methyl-cyclohexyl acetate 106.87
    tetrabutyl urea 107.11
    diisobutyl methanol 66.01
    2-phenylethanol 133.53
    styrene 30.17
    dioctyl adipate 99.43
    dimethyl sulfate 279.34
    ethyl butyrate 99.43
    methyl lactate 183.08
    butyl lactate 144.89
    diethyl carbonate 64.16
    propanediol butyl ether 320.35
    triethyl orthoformate 77.72
    p-tert-butyltoluene 34.33
    methyl 4-tert-butylbenzoate 142.21
    morpholine 234.19
    tert-butylamine 168.92
    n-dodecanol 36.25
    dimethoxymethane 272.56
    ethylene carbonate 144.0
    cyrene 228.93
    2-ethoxyethyl acetate 140.76
    2-ethylhexyl acetate 118.76
    1,2,4-trichlorobenzene 99.07
    4-methylpyridine 127.01
    dibutyl ether 57.42
    2,6-dimethyl-4-heptanol 66.01
    DEF 240.89
    dimethyl isosorbide 330.61
    tetrachloroethylene 129.17
    eugenol 155.78
    triacetin 154.29
    span 80 208.43
    1,4-butanediol 179.34
    1,1-dichloroethane 53.58
    2-methyl-1-pentanol 178.47
    methyl formate 241.56
    2-methyl-1-butanol 208.85
    n-decane 4.83
    butyronitrile 83.59
    3,7-dimethyl-1-octanol 99.35
    1-chlorooctane 27.71
    1-chlorotetradecane 10.26
    n-nonane 4.81
    undecane 3.67
    tert-butylcyclohexane 18.14
    cyclooctane 4.9
    cyclopentanol 304.3
    tetrahydropyran 114.07
    tert-amyl methyl ether 127.42
    2,5,8-trioxanonane 307.18
    1-hexene 57.81
    2-isopropoxyethanol 197.41
    2,2,2-trifluoroethanol 134.98
    methyl butyrate 151.9

    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