Heptyl methacryate

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  • Identifiers

    CAS number
    5459-37-0

    Molecular formula
    C11H20O2

    SMILES
    CCCCCCCOC(=O)C(=C)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 78.02%
    Floral 72.67%
    Herbal 66.6%
    Green 66.29%
    Sweet 51.94%
    Fresh 48.1%
    Jasmin 42.5%
    Waxy 42.14%
    Oily 42.09%
    Mushroom 40.42%

     

    Flavor
    Fruity 65.96%
    Herbal 44.8%
    Green 42.71%
    Floral 37.36%
    Spicy 30.27%
    Oily 29.42%
    Tropical 28.87%
    Berry 27.37%
    Woody 27.36%
    Mushroom 26.8%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.5

    pKa est.
    7.98 (neutral)

    Molecular weight
    184.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    228°C

    Flash point

    • 84.02 ˚C est.

  • Synonyms

    • Heptyl methacrylate
    • n-Heptyl methacrylate
    • 5459-37-0
    • Methacrylic acid, heptyl ester
    • 2-Propenoic acid, 2-methyl-, heptyl ester
    • Heptyl methacryate
    • ENT 33333
    • EINECS 226-727-5
    • NSC 24171
    • NSC-24171
    • 92AE7956C2
    • AI3-33333
    • DTXSID8063911
    • RefChem:783742
    • DTXCID7041752
    • 226-727-5
    • heptyl 2-methylprop-2-enoate
    • methacrylic acid heptyl ester
    • Heptyl 2-methyl-2-propenoate
    • SCHEMBL153234
    • SCHEMBL866372
    • SCHEMBL1142983
    • SCHEMBL5686543
    • SCHEMBL7715736
    • UNII-92AE7956C2
    • NSC24171
    • NS00012527
    • 5459-37-0

  • Applications

    Heptyl methacrylate (CAS 5459-37-0) is primarily used as a reactive monomer and intermediate in polymer synthesis. In industry, it is employed to prepare acrylic polymers and specialty resins for coatings and sealants, imparting flexibility and good adhesion. It serves as a monomer and reactive diluent in UV-curable coatings and in printing inks, enabling efficient cure and durable film formation. It is used in adhesive formulations and in copolymer production for plastics to tailor mechanical properties such as toughness and gloss. It may also function as an intermediate in the synthesis of specialty resins used in electronics encapsulation and protective coatings. Its application is generally as a polymerizable ester, and use is subject to formulation constraints and regulatory compliance.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 9183.8
    methanol 10390.54
    isopropanol 7065.51
    water 0.21
    ethyl acetate 11903.03
    n-propanol 7054.84
    acetone 13334.73
    n-butanol 6822.71
    acetonitrile 9328.89
    DMF 8528.35
    toluene 3234.96
    isobutanol 5408.16
    1,4-dioxane 6627.93
    methyl acetate 7280.05
    THF 9087.11
    2-butanone 11063.1
    n-pentanol 4810.45
    sec-butanol 7129.93
    n-hexane 1674.9
    ethylene glycol 386.39
    NMP 5019.33
    cyclohexane 1549.64
    DMSO 7036.17
    n-butyl acetate 9800.89
    n-octanol 2016.23
    chloroform 9951.2
    n-propyl acetate 7697.79
    acetic acid 4737.81
    dichloromethane 10870.08
    cyclohexanone 11148.25
    propylene glycol 830.89
    isopropyl acetate 6879.41
    DMAc 5522.98
    2-ethoxyethanol 4462.61
    isopentanol 6468.0
    n-heptane 537.42
    ethyl formate 4979.16
    1,2-dichloroethane 8198.05
    n-hexanol 4835.28
    2-methoxyethanol 6410.97
    isobutyl acetate 3919.11
    tetrachloromethane 1655.51
    n-pentyl acetate 4668.41
    transcutol 14520.96
    n-heptanol 1890.9
    ethylbenzene 2065.2
    MIBK 4710.87
    2-propoxyethanol 5830.97
    tert-butanol 7931.04
    MTBE 11071.95
    2-butoxyethanol 2909.25
    propionic acid 3988.91
    o-xylene 1891.02
    formic acid 900.03
    diethyl ether 10394.4
    m-xylene 2157.23
    p-xylene 2542.91
    chlorobenzene 3844.1
    dimethyl carbonate 1276.05
    n-octane 255.51
    formamide 1721.89
    cyclopentanone 8697.97
    2-pentanone 9720.29
    anisole 3282.91
    cyclopentyl methyl ether 6082.35
    gamma-butyrolactone 7856.95
    1-methoxy-2-propanol 4869.38
    pyridine 7476.62
    3-pentanone 5741.44
    furfural 5270.75
    n-dodecane 148.3
    diethylene glycol 2103.45
    diisopropyl ether 2914.59
    tert-amyl alcohol 8085.97
    acetylacetone 6779.89
    n-hexadecane 178.34
    acetophenone 3032.71
    methyl propionate 6003.6
    isopentyl acetate 7448.18
    trichloroethylene 13232.82
    n-nonanol 1527.05
    cyclohexanol 5189.78
    benzyl alcohol 2248.2
    2-ethylhexanol 3195.73
    isooctanol 1694.99
    dipropyl ether 3847.19
    1,2-dichlorobenzene 3163.86
    ethyl lactate 1351.75
    propylene carbonate 4130.14
    n-methylformamide 4506.91
    2-pentanol 5775.41
    n-pentane 1036.85
    1-propoxy-2-propanol 4938.2
    1-methoxy-2-propyl acetate 5023.39
    2-(2-methoxypropoxy) propanol 2068.6
    mesitylene 1241.11
    ε-caprolactone 8274.13
    p-cymene 1079.41
    epichlorohydrin 9274.53
    1,1,1-trichloroethane 7684.93
    2-aminoethanol 1530.68
    morpholine-4-carbaldehyde 4931.12
    sulfolane 5890.41
    2,2,4-trimethylpentane 514.04
    2-methyltetrahydrofuran 9805.88
    n-hexyl acetate 5232.48
    isooctane 416.1
    2-(2-butoxyethoxy)ethanol 3332.55
    sec-butyl acetate 4962.46
    tert-butyl acetate 5766.76
    decalin 685.57
    glycerin 782.77
    diglyme 6081.98
    acrylic acid 2314.55
    isopropyl myristate 1314.7
    n-butyric acid 8027.64
    acetyl acetate 3972.82
    di(2-ethylhexyl) phthalate 931.71
    ethyl propionate 5448.19
    nitromethane 9042.34
    1,2-diethoxyethane 7592.1
    benzonitrile 3971.37
    trioctyl phosphate 729.02
    1-bromopropane 6588.2
    gamma-valerolactone 8728.31
    n-decanol 995.0
    triethyl phosphate 1121.05
    4-methyl-2-pentanol 2743.92
    propionitrile 6790.95
    vinylene carbonate 3446.39
    1,1,2-trichlorotrifluoroethane 4299.48
    DMS 2365.65
    cumene 1223.92
    2-octanol 1697.48
    2-hexanone 7112.0
    octyl acetate 1677.59
    limonene 1888.92
    1,2-dimethoxyethane 8175.46
    ethyl orthosilicate 1210.84
    tributyl phosphate 1109.25
    diacetone alcohol 4348.74
    N,N-dimethylaniline 1911.32
    acrylonitrile 6556.73
    aniline 2964.4
    1,3-propanediol 2822.9
    bromobenzene 4406.12
    dibromomethane 7956.72
    1,1,2,2-tetrachloroethane 9712.32
    2-methyl-cyclohexyl acetate 2481.75
    tetrabutyl urea 1342.99
    diisobutyl methanol 1578.97
    2-phenylethanol 2404.52
    styrene 2641.11
    dioctyl adipate 1563.19
    dimethyl sulfate 1629.11
    ethyl butyrate 4756.67
    methyl lactate 1342.67
    butyl lactate 2381.18
    diethyl carbonate 2379.21
    propanediol butyl ether 2423.93
    triethyl orthoformate 2314.22
    p-tert-butyltoluene 996.33
    methyl 4-tert-butylbenzoate 1818.11
    morpholine 9217.34
    tert-butylamine 5270.72
    n-dodecanol 696.74
    dimethoxymethane 5047.57
    ethylene carbonate 3209.69
    cyrene 1434.24
    2-ethoxyethyl acetate 4517.09
    2-ethylhexyl acetate 5586.97
    1,2,4-trichlorobenzene 3215.72
    4-methylpyridine 8631.66
    dibutyl ether 4018.4
    2,6-dimethyl-4-heptanol 1578.97
    DEF 8975.28
    dimethyl isosorbide 3183.57
    tetrachloroethylene 5969.02
    eugenol 1779.08
    triacetin 2476.11
    span 80 1914.88
    1,4-butanediol 1215.32
    1,1-dichloroethane 10158.47
    2-methyl-1-pentanol 4890.68
    methyl formate 2930.69
    2-methyl-1-butanol 5917.65
    n-decane 309.99
    butyronitrile 8980.38
    3,7-dimethyl-1-octanol 2141.61
    1-chlorooctane 1586.41
    1-chlorotetradecane 441.69
    n-nonane 347.67
    undecane 203.12
    tert-butylcyclohexane 675.84
    cyclooctane 432.16
    cyclopentanol 4175.4
    tetrahydropyran 10932.5
    tert-amyl methyl ether 6795.88
    2,5,8-trioxanonane 3170.55
    1-hexene 5632.24
    2-isopropoxyethanol 3495.65
    2,2,2-trifluoroethanol 916.59
    methyl butyrate 8473.42

    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