2-Methylenepentanal

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  • Identifiers

    CAS number
    1070-13-9

    Molecular formula
    C6H10O

    SMILES
    CCCC(=C)C=O

    Safety labels

  • Odor profile

    Fragrance
    Green 63.13%
    Pungent 62.28%
    Fruity 59.82%
    Herbal 45.15%
    Ethereal 40.9%
    Sharp 36.67%
    Metallic 35.1%
    Spicy 34.16%
    Earthy 33.08%
    Fatty 31.82%

     

    Flavor
    Herbal 42.58%
    Green 37.95%
    Spicy 36.31%
    Fruity 34.98%
    Pungent 31.89%
    Earthy 31.08%
    Fatty 30.68%
    Sweet 30.39%
    Ethereal 28.56%
    Nutty 27.65%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    7.61 (neutral)

    Molecular weight
    98.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    118°C

    Flash point

    • 19.28 ˚C est.

  • Synonyms

    • 2-Propylacrolein
    • 2-Methylenepentanal
    • 1070-13-9
    • Pentanal, 2-methylene-
    • Valeraldehyde, 2-methylene-
    • J58BUB22P5
    • DTXSID40147862
    • RefChem:89315
    • DTXCID1070353
    • 213-971-2
    • 2-methylidenepentanal
    • 2-Methylenevaleraldehyde
    • alpha-Propylacrolein
    • CCRIS 4931
    • EINECS 213-971-2
    • 2-propylac-rolein
    • 2-methylene pentanal
    • 2-methylene-pentanal
    • Propylacrolein, 2-
    • 2-methylene valeraldehyde
    • SCHEMBL1007664
    • SCHEMBL1880740
    • AKOS006229740
    • DB-040720
    • NS00023435
    • 1070-13-9

  • Applications

    2-Methylenepentanal (CAS 1070-13-9) is used primarily as a fragrance and flavor intermediate, providing a building block for the synthesis of other aroma compounds; it may also be used as a reactive aldehyde intermediate in cosmetics and personal care formulations; in industrial manufacturing it serves as a starting material for further chemical transformations such as oxidation, reduction, or condensation; in polymer and coatings chemistry it can act as a precursor for resin formation or crosslinking via the aldehyde functionality.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 342.98
    methanol 521.87
    isopropanol 187.52
    water 1.03
    ethyl acetate 270.64
    n-propanol 229.83
    acetone 287.79
    n-butanol 239.44
    acetonitrile 224.95
    DMF 301.67
    toluene 89.75
    isobutanol 157.26
    1,4-dioxane 350.03
    methyl acetate 241.45
    THF 436.06
    2-butanone 247.09
    n-pentanol 180.4
    sec-butanol 156.19
    n-hexane 55.98
    ethylene glycol 80.64
    NMP 329.62
    cyclohexane 51.11
    DMSO 288.4
    n-butyl acetate 484.05
    n-octanol 137.46
    chloroform 508.49
    n-propyl acetate 220.24
    acetic acid 402.29
    dichloromethane 447.14
    cyclohexanone 358.33
    propylene glycol 78.94
    isopropyl acetate 149.12
    DMAc 188.9
    2-ethoxyethanol 213.96
    isopentanol 201.71
    n-heptane 50.46
    ethyl formate 194.98
    1,2-dichloroethane 280.33
    n-hexanol 380.39
    2-methoxyethanol 318.11
    isobutyl acetate 152.51
    tetrachloromethane 115.39
    n-pentyl acetate 187.97
    transcutol 1142.07
    n-heptanol 138.77
    ethylbenzene 76.28
    MIBK 143.13
    2-propoxyethanol 419.62
    tert-butanol 242.49
    MTBE 191.14
    2-butoxyethanol 217.17
    propionic acid 241.67
    o-xylene 75.78
    formic acid 144.01
    diethyl ether 210.73
    m-xylene 80.35
    p-xylene 98.83
    chlorobenzene 183.4
    dimethyl carbonate 60.8
    n-octane 20.2
    formamide 131.6
    cyclopentanone 367.72
    2-pentanone 209.69
    anisole 148.78
    cyclopentyl methyl ether 210.09
    gamma-butyrolactone 437.96
    1-methoxy-2-propanol 209.94
    pyridine 264.11
    3-pentanone 139.75
    furfural 408.15
    n-dodecane 16.35
    diethylene glycol 281.78
    diisopropyl ether 72.36
    tert-amyl alcohol 196.78
    acetylacetone 220.4
    n-hexadecane 18.41
    acetophenone 156.39
    methyl propionate 158.46
    isopentyl acetate 384.1
    trichloroethylene 575.66
    n-nonanol 117.17
    cyclohexanol 176.41
    benzyl alcohol 123.8
    2-ethylhexanol 237.13
    isooctanol 113.26
    dipropyl ether 204.43
    1,2-dichlorobenzene 187.44
    ethyl lactate 98.32
    propylene carbonate 282.29
    n-methylformamide 196.6
    2-pentanol 151.73
    n-pentane 38.3
    1-propoxy-2-propanol 332.59
    1-methoxy-2-propyl acetate 283.67
    2-(2-methoxypropoxy) propanol 234.09
    mesitylene 61.57
    ε-caprolactone 332.23
    p-cymene 88.4
    epichlorohydrin 395.96
    1,1,1-trichloroethane 302.29
    2-aminoethanol 142.41
    morpholine-4-carbaldehyde 349.11
    sulfolane 396.97
    2,2,4-trimethylpentane 25.33
    2-methyltetrahydrofuran 335.81
    n-hexyl acetate 258.77
    isooctane 22.99
    2-(2-butoxyethoxy)ethanol 319.14
    sec-butyl acetate 146.67
    tert-butyl acetate 184.79
    decalin 35.46
    glycerin 112.38
    diglyme 513.48
    acrylic acid 202.05
    isopropyl myristate 101.72
    n-butyric acid 337.53
    acetyl acetate 153.63
    di(2-ethylhexyl) phthalate 100.89
    ethyl propionate 157.18
    nitromethane 434.33
    1,2-diethoxyethane 366.16
    benzonitrile 203.4
    trioctyl phosphate 77.88
    1-bromopropane 197.77
    gamma-valerolactone 443.66
    n-decanol 86.73
    triethyl phosphate 96.79
    4-methyl-2-pentanol 100.38
    propionitrile 200.51
    vinylene carbonate 258.37
    1,1,2-trichlorotrifluoroethane 296.88
    DMS 173.42
    cumene 65.11
    2-octanol 94.71
    2-hexanone 223.51
    octyl acetate 128.41
    limonene 135.45
    1,2-dimethoxyethane 354.28
    ethyl orthosilicate 100.83
    tributyl phosphate 102.59
    diacetone alcohol 202.0
    N,N-dimethylaniline 102.09
    acrylonitrile 232.03
    aniline 123.71
    1,3-propanediol 193.72
    bromobenzene 180.85
    dibromomethane 314.14
    1,1,2,2-tetrachloroethane 384.65
    2-methyl-cyclohexyl acetate 194.42
    tetrabutyl urea 122.34
    diisobutyl methanol 125.38
    2-phenylethanol 193.66
    styrene 93.98
    dioctyl adipate 143.47
    dimethyl sulfate 96.34
    ethyl butyrate 249.02
    methyl lactate 92.97
    butyl lactate 159.69
    diethyl carbonate 158.47
    propanediol butyl ether 204.22
    triethyl orthoformate 161.65
    p-tert-butyltoluene 83.3
    methyl 4-tert-butylbenzoate 152.74
    morpholine 355.37
    tert-butylamine 167.38
    n-dodecanol 67.95
    dimethoxymethane 170.26
    ethylene carbonate 196.34
    cyrene 150.48
    2-ethoxyethyl acetate 245.86
    2-ethylhexyl acetate 283.7
    1,2,4-trichlorobenzene 201.42
    4-methylpyridine 256.32
    dibutyl ether 179.94
    2,6-dimethyl-4-heptanol 125.38
    DEF 227.13
    dimethyl isosorbide 364.59
    tetrachloroethylene 303.49
    eugenol 176.69
    triacetin 200.68
    span 80 209.59
    1,4-butanediol 93.34
    1,1-dichloroethane 303.81
    2-methyl-1-pentanol 165.34
    methyl formate 164.81
    2-methyl-1-butanol 170.93
    n-decane 26.85
    butyronitrile 241.65
    3,7-dimethyl-1-octanol 152.72
    1-chlorooctane 99.02
    1-chlorotetradecane 41.74
    n-nonane 27.43
    undecane 20.45
    tert-butylcyclohexane 39.12
    cyclooctane 19.99
    cyclopentanol 176.0
    tetrahydropyran 334.89
    tert-amyl methyl ether 143.48
    2,5,8-trioxanonane 338.8
    1-hexene 159.66
    2-isopropoxyethanol 167.54
    2,2,2-trifluoroethanol 105.44
    methyl butyrate 230.16

    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