2-Methylenehexanal

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  • Identifiers

    CAS number
    1070-66-2

    Molecular formula
    C7H12O

    SMILES
    CCCCC(=C)C=O

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 62.44%
    Fruity 56.41%
    Pungent 48.97%
    Herbal 45.81%
    Fatty 44.57%
    Metallic 42.29%
    Earthy 38.67%
    Cheesy 35.99%
    Mushroom 34.74%
    Fresh 33.35%

     

    Flavor
    Herbal 54.27%
    Green 44.33%
    Spicy 40.29%
    Fatty 36.03%
    Earthy 34.47%
    Mushroom 32.92%
    Fruity 31.69%
    Oily 31.33%
    Fat 30.18%
    Sweet 26.38%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    7.93 (neutral)

    Molecular weight
    112.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    145°C

    Flash point

    • 35.67 ˚C est.

  • Synonyms

    • 2-Methylenehexanal
    • 2-Butylacrolein
    • 1070-66-2
    • BF22JRQ925
    • DTXSID80147866
    • RefChem:88314
    • DTXCID1070357
    • 213-978-0
    • 2-methylidenehexanal
    • Hexanal, 2-methylene-
    • 2-methylene-hexanal
    • 2-n-Butylacrolein
    • EINECS 213-978-0
    • CCRIS 8136
    • alpha-butylacrolein
    • 2-Butylacrylaldehyde #
    • 2-Butylacrolein, 95%
    • BUTYLACROLEIN, 2-
    • 2-N-BUTYL ACROLEIN
    • UNII-BF22JRQ925
    • .ALPHA.-BUTYLACROLEIN
    • SCHEMBL182307
    • SCHEMBL2267885
    • AKOS000120975
    • DB-240380
    • NS00023438
    • EN300-20582
    • 1070-66-2

  • Applications

    2-Methylenehexanal, CAS 1070-66-2, is commonly used as an intermediate in fragrance and flavor chemistry, providing building blocks for aroma compounds in perfumery and food applications. It is also employed as a fragrance component in cosmetics and personal care formulations. In industrial manufacturing, it can serve as a precursor for polymers and plastics and for components used in coatings, inks, and adhesives, enabled by its aldehyde and vinyl functionalities for downstream functionalization. The material may also be evaluated for crosslinking chemistries and resin synthesis, subject to regulatory and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 578.68
    methanol 374.49
    isopropanol 521.89
    water 0.34
    ethyl acetate 741.05
    n-propanol 493.39
    acetone 906.8
    n-butanol 503.24
    acetonitrile 513.46
    DMF 640.92
    toluene 171.05
    isobutanol 413.5
    1,4-dioxane 554.04
    methyl acetate 684.75
    THF 1046.45
    2-butanone 873.68
    n-pentanol 336.53
    sec-butanol 489.55
    n-hexane 83.06
    ethylene glycol 79.48
    NMP 728.4
    cyclohexane 79.85
    DMSO 724.12
    n-butyl acetate 949.77
    n-octanol 226.5
    chloroform 1145.75
    n-propyl acetate 489.38
    acetic acid 538.31
    dichloromethane 1183.72
    cyclohexanone 991.22
    propylene glycol 140.94
    isopropyl acetate 406.41
    DMAc 441.51
    2-ethoxyethanol 330.51
    isopentanol 463.88
    n-heptane 69.14
    ethyl formate 426.07
    1,2-dichloroethane 745.53
    n-hexanol 581.63
    2-methoxyethanol 507.57
    isobutyl acetate 319.7
    tetrachloromethane 192.65
    n-pentyl acetate 378.98
    transcutol 1629.61
    n-heptanol 215.97
    ethylbenzene 149.66
    MIBK 367.7
    2-propoxyethanol 641.32
    tert-butanol 585.73
    MTBE 488.99
    2-butoxyethanol 335.04
    propionic acid 497.72
    o-xylene 144.49
    formic acid 100.82
    diethyl ether 423.17
    m-xylene 158.34
    p-xylene 193.27
    chlorobenzene 384.4
    dimethyl carbonate 138.73
    n-octane 30.36
    formamide 142.77
    cyclopentanone 1157.47
    2-pentanone 639.48
    anisole 290.32
    cyclopentyl methyl ether 454.37
    gamma-butyrolactone 1182.63
    1-methoxy-2-propanol 458.35
    pyridine 608.78
    3-pentanone 412.47
    furfural 863.0
    n-dodecane 25.09
    diethylene glycol 353.01
    diisopropyl ether 149.73
    tert-amyl alcohol 511.73
    acetylacetone 632.75
    n-hexadecane 28.54
    acetophenone 318.03
    methyl propionate 444.47
    isopentyl acetate 732.67
    trichloroethylene 1615.19
    n-nonanol 188.25
    cyclohexanol 373.05
    benzyl alcohol 219.88
    2-ethylhexanol 357.05
    isooctanol 187.99
    dipropyl ether 347.32
    1,2-dichlorobenzene 374.49
    ethyl lactate 185.66
    propylene carbonate 662.86
    n-methylformamide 342.94
    2-pentanol 379.59
    n-pentane 57.63
    1-propoxy-2-propanol 605.71
    1-methoxy-2-propyl acetate 573.39
    2-(2-methoxypropoxy) propanol 378.08
    mesitylene 119.04
    ε-caprolactone 793.91
    p-cymene 153.53
    epichlorohydrin 1043.44
    1,1,1-trichloroethane 863.03
    2-aminoethanol 185.92
    morpholine-4-carbaldehyde 582.37
    sulfolane 1159.04
    2,2,4-trimethylpentane 41.72
    2-methyltetrahydrofuran 903.26
    n-hexyl acetate 543.74
    isooctane 40.21
    2-(2-butoxyethoxy)ethanol 489.15
    sec-butyl acetate 328.05
    tert-butyl acetate 451.77
    decalin 60.87
    glycerin 161.33
    diglyme 817.72
    acrylic acid 363.05
    isopropyl myristate 196.57
    n-butyric acid 789.1
    acetyl acetate 348.21
    di(2-ethylhexyl) phthalate 161.67
    ethyl propionate 370.11
    nitromethane 851.28
    1,2-diethoxyethane 558.25
    benzonitrile 414.94
    trioctyl phosphate 136.22
    1-bromopropane 508.17
    gamma-valerolactone 1061.65
    n-decanol 143.99
    triethyl phosphate 171.05
    4-methyl-2-pentanol 214.82
    propionitrile 476.98
    vinylene carbonate 518.63
    1,1,2-trichlorotrifluoroethane 579.09
    DMS 330.64
    cumene 122.8
    2-octanol 170.85
    2-hexanone 535.26
    octyl acetate 244.18
    limonene 231.35
    1,2-dimethoxyethane 589.74
    ethyl orthosilicate 166.9
    tributyl phosphate 181.33
    diacetone alcohol 467.91
    N,N-dimethylaniline 184.45
    acrylonitrile 564.08
    aniline 224.29
    1,3-propanediol 315.29
    bromobenzene 415.66
    dibromomethane 822.55
    1,1,2,2-tetrachloroethane 1052.16
    2-methyl-cyclohexyl acetate 362.39
    tetrabutyl urea 214.65
    diisobutyl methanol 213.84
    2-phenylethanol 326.83
    styrene 181.55
    dioctyl adipate 267.75
    dimethyl sulfate 229.06
    ethyl butyrate 508.91
    methyl lactate 192.36
    butyl lactate 305.55
    diethyl carbonate 298.94
    propanediol butyl ether 355.91
    triethyl orthoformate 290.78
    p-tert-butyltoluene 148.45
    methyl 4-tert-butylbenzoate 296.89
    morpholine 653.68
    tert-butylamine 357.59
    n-dodecanol 113.76
    dimethoxymethane 316.04
    ethylene carbonate 410.84
    cyrene 272.34
    2-ethoxyethyl acetate 450.28
    2-ethylhexyl acetate 530.59
    1,2,4-trichlorobenzene 418.98
    4-methylpyridine 582.59
    dibutyl ether 317.12
    2,6-dimethyl-4-heptanol 213.84
    DEF 520.25
    dimethyl isosorbide 603.06
    tetrachloroethylene 662.22
    eugenol 317.48
    triacetin 393.51
    span 80 340.53
    1,4-butanediol 132.48
    1,1-dichloroethane 923.14
    2-methyl-1-pentanol 321.99
    methyl formate 291.76
    2-methyl-1-butanol 412.83
    n-decane 41.04
    butyronitrile 558.87
    3,7-dimethyl-1-octanol 263.11
    1-chlorooctane 177.6
    1-chlorotetradecane 72.31
    n-nonane 42.07
    undecane 31.49
    tert-butylcyclohexane 65.16
    cyclooctane 29.31
    cyclopentanol 469.69
    tetrahydropyran 734.61
    tert-amyl methyl ether 330.59
    2,5,8-trioxanonane 519.32
    1-hexene 290.17
    2-isopropoxyethanol 286.7
    2,2,2-trifluoroethanol 136.73
    methyl butyrate 545.67

    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