4-Pentenal

Overview IFRA Request a quote

  • Identifiers

    CAS number
    2100-17-6

    Molecular formula
    C5H8O

    SMILES
    C=CCCC=O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Green 84.52%
    Fruity 84.13%
    Pungent 65.01%
    Sharp 45.28%
    Vegetable 36.73%
    Ethereal 36.48%
    Fresh 36.35%
    Alliaceous 33.86%
    Cheesy 33.65%
    Aldehydic 33.52%

    Scent© AI

  • Properties

    XLogP3-AA
    0.8

    Molecular weight
    84.12 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    101°C

    Flash point est.
    14.11 ˚C

    Solubility expt.

    • Slightly soluble in water; soluble in pentane and diethyl ether
    • Soluble (in ethanol)

  • Synonyms

    • 4-PENTENAL
    • pent-4-enal
    • 2100-17-6
    • BRN 1734369
    • EINECS 218-265-8
    • 71K1W8950B
    • 4-PENT-4-ENAL
    • 4-PENTENAL [FHFI]
    • AI3-24690
    • 4-PENT-4-EN-1-AL
    • DTXSID1062178
    • FEMA NO. 4262
    • Pent-4-en-1-al
    • 4-penten-1-al
    • MFCD00151841
    • 4-Pentenal, AldrichCPR
    • DTXCID7036408
    • UNII-71K1W8950B
    • QUMSUJWRUHPEEJ-UHFFFAOYSA-
    • CHEBI:173318
    • CAA10017
    • AKOS009157546
    • AS-56254
    • NS00021844
    • EN300-128781
    • Q27265961
    • InChI=1/C5H8O/c1-2-3-4-5-6/h2,5H,1,3-4H2

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 258.17
    methanol 412.58
    isopropanol 154.2
    water 3.09
    ethyl acetate 119.08
    n-propanol 177.16
    acetone 169.22
    n-butanol 164.48
    acetonitrile 128.4
    DMF 407.54
    toluene 39.43
    isobutanol 112.78
    1,4-dioxane 192.43
    methyl acetate 133.48
    THF 220.74
    2-butanone 125.66
    n-pentanol 109.42
    sec-butanol 119.73
    n-hexane 23.05
    ethylene glycol 115.8
    NMP 275.22
    cyclohexane 24.49
    DMSO 337.76
    n-butyl acetate 150.69
    n-octanol 76.16
    chloroform 239.78
    n-propyl acetate 90.31
    acetic acid 282.04
    dichloromethane 183.77
    cyclohexanone 168.03
    propylene glycol 106.77
    isopropyl acetate 63.29
    DMAc 228.1
    2-ethoxyethanol 150.12
    isopentanol 118.72
    n-heptane 24.31
    ethyl formate 101.16
    1,2-dichloroethane 125.94
    n-hexanol 172.52
    2-methoxyethanol 286.46
    isobutyl acetate 61.73
    tetrachloromethane 50.0
    n-pentyl acetate 74.06
    transcutol 657.9
    n-heptanol 68.98
    ethylbenzene 32.98
    MIBK 64.11
    2-propoxyethanol 232.8
    tert-butanol 155.76
    MTBE 78.57
    2-butoxyethanol 122.43
    propionic acid 193.2
    o-xylene 39.03
    formic acid 125.62
    diethyl ether 85.48
    m-xylene 36.5
    p-xylene 41.3
    chlorobenzene 82.73
    dimethyl carbonate 47.64
    n-octane 8.68
    formamide 119.31
    cyclopentanone 191.72
    2-pentanone 101.92
    anisole 77.61
    cyclopentyl methyl ether 96.48
    gamma-butyrolactone 231.25
    1-methoxy-2-propanol 188.99
    pyridine 157.05
    3-pentanone 71.52
    furfural 250.43
    n-dodecane 8.11
    diethylene glycol 208.76
    diisopropyl ether 27.21
    tert-amyl alcohol 114.54
    acetylacetone 118.5
    n-hexadecane 8.85
    acetophenone 86.1
    methyl propionate 103.6
    isopentyl acetate 111.55
    trichloroethylene 239.84
    n-nonanol 67.57
    cyclohexanol 108.12
    benzyl alcohol 75.94
    2-ethylhexanol 98.85
    isooctanol 55.38
    dipropyl ether 87.35
    1,2-dichlorobenzene 87.59
    ethyl lactate 67.96
    propylene carbonate 134.48
    n-methylformamide 195.51
    2-pentanol 94.63
    n-pentane 18.03
    1-propoxy-2-propanol 183.0
    1-methoxy-2-propyl acetate 122.28
    2-(2-methoxypropoxy) propanol 159.37
    mesitylene 27.93
    ε-caprolactone 152.15
    p-cymene 37.3
    epichlorohydrin 188.98
    1,1,1-trichloroethane 115.75
    2-aminoethanol 164.5
    morpholine-4-carbaldehyde 268.6
    sulfolane 255.84
    2,2,4-trimethylpentane 11.66
    2-methyltetrahydrofuran 146.62
    n-hexyl acetate 114.16
    isooctane 9.21
    2-(2-butoxyethoxy)ethanol 208.45
    sec-butyl acetate 56.26
    tert-butyl acetate 72.73
    decalin 16.12
    glycerin 144.65
    diglyme 328.46
    acrylic acid 176.49
    isopropyl myristate 48.01
    n-butyric acid 206.54
    acetyl acetate 80.35
    di(2-ethylhexyl) phthalate 57.37
    ethyl propionate 76.47
    nitromethane 306.39
    1,2-diethoxyethane 158.9
    benzonitrile 109.07
    trioctyl phosphate 42.66
    1-bromopropane 83.69
    gamma-valerolactone 249.22
    n-decanol 50.88
    triethyl phosphate 49.81
    4-methyl-2-pentanol 56.7
    propionitrile 115.0
    vinylene carbonate 143.05
    1,1,2-trichlorotrifluoroethane 203.41
    DMS 98.36
    cumene 29.79
    2-octanol 45.74
    2-hexanone 89.98
    octyl acetate 63.61
    limonene 55.62
    1,2-dimethoxyethane 205.61
    ethyl orthosilicate 48.27
    tributyl phosphate 54.66
    diacetone alcohol 116.9
    N,N-dimethylaniline 61.55
    acrylonitrile 157.44
    aniline 75.43
    1,3-propanediol 179.99
    bromobenzene 73.32
    dibromomethane 129.53
    1,1,2,2-tetrachloroethane 187.35
    2-methyl-cyclohexyl acetate 77.72
    tetrabutyl urea 75.82
    diisobutyl methanol 56.7
    2-phenylethanol 97.96
    styrene 44.39
    dioctyl adipate 77.09
    dimethyl sulfate 83.33
    ethyl butyrate 99.57
    methyl lactate 87.49
    butyl lactate 86.02
    diethyl carbonate 73.46
    propanediol butyl ether 142.84
    triethyl orthoformate 72.96
    p-tert-butyltoluene 34.95
    methyl 4-tert-butylbenzoate 84.74
    morpholine 224.3
    tert-butylamine 99.8
    n-dodecanol 40.12
    dimethoxymethane 142.37
    ethylene carbonate 100.47
    cyrene 100.12
    2-ethoxyethyl acetate 109.58
    2-ethylhexyl acetate 87.88
    1,2,4-trichlorobenzene 99.15
    4-methylpyridine 138.95
    dibutyl ether 78.86
    2,6-dimethyl-4-heptanol 56.7
    DEF 147.4
    dimethyl isosorbide 188.51
    tetrachloroethylene 157.62
    eugenol 108.32
    triacetin 118.07
    span 80 142.05
    1,4-butanediol 79.17
    1,1-dichloroethane 120.36
    2-methyl-1-pentanol 91.27
    methyl formate 132.47
    2-methyl-1-butanol 106.52
    n-decane 12.13
    butyronitrile 113.84
    3,7-dimethyl-1-octanol 79.45
    1-chlorooctane 41.97
    1-chlorotetradecane 20.41
    n-nonane 11.59
    undecane 9.67
    tert-butylcyclohexane 17.17
    cyclooctane 9.39
    cyclopentanol 117.98
    tetrahydropyran 154.91
    tert-amyl methyl ether 67.19
    2,5,8-trioxanonane 254.5
    1-hexene 62.82
    2-isopropoxyethanol 102.11
    2,2,2-trifluoroethanol 84.86
    methyl butyrate 110.1

    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