3-Methylpentyl 2-methylprop-2-enoate

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  • Identifiers

    CAS number
    113615-00-2

    Molecular formula
    C10H18O2

    SMILES
    CCC(C)CCOC(=O)C(=C)C

  • Odor profile

    Fruity 68.34%
    Floral 64.45%
    Herbal 61.09%
    Sweet 45.28%
    Chamomile 44.41%
    Rose 41.12%
    Mint 37.49%
    Fresh 35.4%
    Apple 34.52%
    Woody 33.29%

    Scent© AI

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    8.33 (weak base)

    Molecular weight
    170.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    201°C

    Flash point est.
    67.6 ˚C

  • Synonyms

    • 3-Methylamyl methacrylate
    • 3-Methylpentyl 2-methylprop-2-enoate
    • 113615-00-2
    • 2-Propenoic acid, 2-methyl-, 3-methylpentyl ester
    • 3-methylpentyl methacrylate
    • SCHEMBL1903309
    • DTXSID00593104
    • QKMOBSUDXQCKPG-UHFFFAOYSA-N
    • Q67879595

  • Applications

    3-Methylpentyl 2-methylprop-2-enoate (CAS 113615-00-2), also known as 3‑methylpentyl methacrylate, is a branched alkyl methacrylate used as a comonomer/reactive diluent in UV/EB- or thermally cured coatings, inks and adhesives to tune viscosity, flow/leveling and cure speed; when copolymerized with MMA, BA, 2‑EHMA or other functional monomers it yields acrylic resins with lower Tg, improved flexibility and toughness, reduced shrinkage and better adhesion to metals, glass and polar plastics; its branched C6 side chain imparts hydrophobicity, water/chemical resistance, weatherability and gloss retention, making it suitable for industrial topcoats, protective varnishes, electronics/conformal coatings, pressure-sensitive adhesives, sealants and polymer modification; it also helps fine‑tune film hardness–softness balance, enhance abrasion/scratch resistance and reduce VOC versus inert solvents by acting as a reactive diluent, and can be combined with multifunctional crosslinkers to build robust networks while maintaining flexibility.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2969.95
    methanol 3217.45
    isopropanol 2069.23
    water 0.68
    ethyl acetate 3837.12
    n-propanol 2267.9
    acetone 3599.76
    n-butanol 2354.67
    acetonitrile 2340.75
    DMF 2877.29
    toluene 1171.07
    isobutanol 1922.82
    1,4-dioxane 3466.39
    methyl acetate 2677.32
    THF 3746.09
    2-butanone 3276.73
    n-pentanol 1723.36
    sec-butanol 2331.93
    n-hexane 485.17
    ethylene glycol 211.28
    NMP 2093.32
    cyclohexane 508.78
    DMSO 1712.61
    n-butyl acetate 3006.18
    n-octanol 679.72
    chloroform 4207.71
    n-propyl acetate 2144.22
    acetic acid 2632.56
    dichloromethane 3349.85
    cyclohexanone 3626.29
    propylene glycol 427.28
    isopropyl acetate 2417.95
    DMAc 2452.8
    2-ethoxyethanol 1926.88
    isopentanol 2506.03
    n-heptane 115.52
    ethyl formate 1463.06
    1,2-dichloroethane 2803.31
    n-hexanol 1993.58
    2-methoxyethanol 2627.38
    isobutyl acetate 1311.21
    tetrachloromethane 713.52
    n-pentyl acetate 1208.56
    transcutol 6835.75
    n-heptanol 684.74
    ethylbenzene 787.6
    MIBK 1654.89
    2-propoxyethanol 2511.27
    tert-butanol 3321.37
    MTBE 4502.15
    2-butoxyethanol 1143.34
    propionic acid 1614.01
    o-xylene 782.73
    formic acid 627.65
    diethyl ether 3566.37
    m-xylene 827.88
    p-xylene 1055.39
    chlorobenzene 1608.81
    dimethyl carbonate 499.76
    n-octane 57.21
    formamide 997.38
    cyclopentanone 2802.29
    2-pentanone 2813.01
    anisole 1500.76
    cyclopentyl methyl ether 2296.81
    gamma-butyrolactone 2868.33
    1-methoxy-2-propanol 1945.74
    pyridine 2754.29
    3-pentanone 1865.53
    furfural 2253.8
    n-dodecane 41.9
    diethylene glycol 1185.11
    diisopropyl ether 1115.45
    tert-amyl alcohol 3490.75
    acetylacetone 2355.19
    n-hexadecane 50.0
    acetophenone 1285.98
    methyl propionate 1933.56
    isopentyl acetate 2683.32
    trichloroethylene 5345.13
    n-nonanol 577.64
    cyclohexanol 1938.78
    benzyl alcohol 1022.43
    2-ethylhexanol 1157.93
    isooctanol 622.84
    dipropyl ether 1078.16
    1,2-dichlorobenzene 1418.64
    ethyl lactate 557.89
    propylene carbonate 1665.93
    n-methylformamide 1457.98
    2-pentanol 1938.82
    n-pentane 296.11
    1-propoxy-2-propanol 1883.05
    1-methoxy-2-propyl acetate 2163.2
    2-(2-methoxypropoxy) propanol 1129.07
    mesitylene 538.7
    ε-caprolactone 3085.08
    p-cymene 420.06
    epichlorohydrin 3693.7
    1,1,1-trichloroethane 3270.09
    2-aminoethanol 732.53
    morpholine-4-carbaldehyde 2593.14
    sulfolane 2178.64
    2,2,4-trimethylpentane 227.28
    2-methyltetrahydrofuran 3853.0
    n-hexyl acetate 1748.74
    isooctane 187.11
    2-(2-butoxyethoxy)ethanol 1718.62
    sec-butyl acetate 1767.74
    tert-butyl acetate 2445.01
    decalin 299.52
    glycerin 485.51
    diglyme 2829.39
    acrylic acid 1067.79
    isopropyl myristate 503.49
    n-butyric acid 2918.64
    acetyl acetate 1767.29
    di(2-ethylhexyl) phthalate 448.52
    ethyl propionate 1669.86
    nitromethane 3738.19
    1,2-diethoxyethane 2728.9
    benzonitrile 1392.64
    trioctyl phosphate 301.98
    1-bromopropane 1998.6
    gamma-valerolactone 3475.12
    n-decanol 391.7
    triethyl phosphate 460.02
    4-methyl-2-pentanol 1108.16
    propionitrile 1769.24
    vinylene carbonate 1462.71
    1,1,2-trichlorotrifluoroethane 1952.17
    DMS 1083.21
    cumene 543.34
    2-octanol 542.94
    2-hexanone 2147.42
    octyl acetate 625.69
    limonene 703.99
    1,2-dimethoxyethane 3268.41
    ethyl orthosilicate 518.38
    tributyl phosphate 478.97
    diacetone alcohol 1973.4
    N,N-dimethylaniline 892.33
    acrylonitrile 1818.55
    aniline 1211.24
    1,3-propanediol 1341.01
    bromobenzene 1653.73
    dibromomethane 2418.87
    1,1,2,2-tetrachloroethane 4382.12
    2-methyl-cyclohexyl acetate 1054.2
    tetrabutyl urea 508.03
    diisobutyl methanol 589.98
    2-phenylethanol 1170.15
    styrene 1002.29
    dioctyl adipate 661.52
    dimethyl sulfate 642.8
    ethyl butyrate 1519.85
    methyl lactate 557.57
    butyl lactate 792.86
    diethyl carbonate 856.76
    propanediol butyl ether 984.92
    triethyl orthoformate 895.76
    p-tert-butyltoluene 407.39
    methyl 4-tert-butylbenzoate 849.78
    morpholine 4438.22
    tert-butylamine 2195.23
    n-dodecanol 273.06
    dimethoxymethane 1733.35
    ethylene carbonate 1307.25
    cyrene 782.44
    2-ethoxyethyl acetate 1601.11
    2-ethylhexyl acetate 2016.61
    1,2,4-trichlorobenzene 1548.54
    4-methylpyridine 3086.15
    dibutyl ether 1120.4
    2,6-dimethyl-4-heptanol 589.98
    DEF 2932.56
    dimethyl isosorbide 1638.42
    tetrachloroethylene 2752.0
    eugenol 860.65
    triacetin 1060.1
    span 80 994.48
    1,4-butanediol 555.4
    1,1-dichloroethane 3428.81
    2-methyl-1-pentanol 2085.42
    methyl formate 987.72
    2-methyl-1-butanol 2450.01
    n-decane 81.48
    butyronitrile 2180.11
    3,7-dimethyl-1-octanol 868.45
    1-chlorooctane 471.13
    1-chlorotetradecane 150.93
    n-nonane 77.91
    undecane 56.43
    tert-butylcyclohexane 296.84
    cyclooctane 146.35
    cyclopentanol 1468.17
    tetrahydropyran 4207.12
    tert-amyl methyl ether 2927.09
    2,5,8-trioxanonane 1611.75
    1-hexene 1549.36
    2-isopropoxyethanol 1557.29
    2,2,2-trifluoroethanol 584.97
    methyl butyrate 2389.17

    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

Botanical

Name CAS Botanical Proportion
Roman chamomile (India) 8015-92-7 Anthemis nobilis L., fam. Asteraceae (Compositae) 2.62%
Roman chamomile (Germany) 1b headspace 8015-92-7 Anthemis nobilis L., fam. Asteraceae (Compositae) 0.64%