2-Methyl-2-propyl angelate

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  • Identifiers

    CAS number
    82105-54-2

    SMILES
    C\C=C(C)/C(=O)OC(C)(C)C

  • Odor profile

    Fruity 82.14%
    Herbal 67.73%
    Chamomile 53.01%
    Apple 49.21%
    Floral 47.24%
    Mint 45.57%
    Spicy 36.3%
    Woody 34.69%
    Fresh 34.28%
    Rose 32.36%

    Scent© AI

  • Properties

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    165°C

    Flash point est.
    57.55 ˚C

  • Applications

    2-Methyl-2-propyl angelate (CAS 82105-54-2, a.k.a. tert-butyl angelate) is an α,β-unsaturated angelate ester used as: (i) an intermediate and tert‑butyl ester protecting group for angelic acid in organic and medicinal synthesis, readily deprotected under acidic conditions; (ii) a building block/Michael acceptor for selective conjugate additions, hydroboration–oxidation, epoxidation, and related transformations to generate derivative libraries; (iii) a monomer or reactive diluent in UV/EB-curable coatings, adhesives, and inks to lower volatility and odor relative to some low‑MW acrylates while tuning cure rate and polymer network flexibility; (iv) a precursor for synthesizing natural angelate esters relevant to flavors/fragrances and insect pheromone components for research or pheromone-based pest control; and (v) an analytical reference/internal standard for GC/MS or LC method development in essential-oil matrices and environmental studies; actual use depends on product specifications (purity, residuals) and regional regulatory/safety requirements.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 331.62
    methanol 358.37
    isopropanol 528.91
    water 6.43
    ethyl acetate 420.63
    n-propanol 396.6
    acetone 568.08
    n-butanol 419.53
    acetonitrile 417.35
    DMF 855.82
    toluene 466.21
    isobutanol 457.92
    1,4-dioxane 730.29
    methyl acetate 461.77
    THF 1090.71
    2-butanone 552.5
    n-pentanol 352.83
    sec-butanol 667.88
    n-hexane 379.66
    ethylene glycol 112.83
    NMP 1057.75
    cyclohexane 482.46
    DMSO 396.63
    n-butyl acetate 506.15
    n-octanol 604.02
    chloroform 2123.06
    n-propyl acetate 326.03
    acetic acid 425.67
    dichloromethane 1154.93
    cyclohexanone 921.32
    propylene glycol 276.58
    isopropyl acetate 352.77
    DMAc 971.06
    2-ethoxyethanol 256.01
    isopentanol 451.26
    n-heptane 293.39
    ethyl formate 314.23
    1,2-dichloroethane 535.36
    n-hexanol 704.87
    2-methoxyethanol 424.39
    isobutyl acetate 293.33
    tetrachloromethane 397.68
    n-pentyl acetate 384.56
    transcutol 598.88
    n-heptanol 405.76
    ethylbenzene 460.32
    MIBK 370.86
    2-propoxyethanol 545.71
    tert-butanol 877.07
    MTBE 636.0
    2-butoxyethanol 362.2
    propionic acid 420.27
    o-xylene 449.86
    formic acid 115.09
    diethyl ether 362.95
    m-xylene 420.61
    p-xylene 633.78
    chlorobenzene 550.6
    dimethyl carbonate 219.05
    n-octane 167.32
    formamide 124.33
    cyclopentanone 906.28
    2-pentanone 439.15
    anisole 531.07
    cyclopentyl methyl ether 636.85
    gamma-butyrolactone 869.67
    1-methoxy-2-propanol 485.88
    pyridine 595.3
    3-pentanone 398.51
    furfural 743.77
    n-dodecane 158.73
    diethylene glycol 317.5
    diisopropyl ether 249.95
    tert-amyl alcohol 892.64
    acetylacetone 530.95
    n-hexadecane 172.14
    acetophenone 515.58
    methyl propionate 383.12
    isopentyl acetate 517.74
    trichloroethylene 1275.47
    n-nonanol 501.0
    cyclohexanol 768.2
    benzyl alcohol 398.71
    2-ethylhexanol 522.37
    isooctanol 355.56
    dipropyl ether 413.2
    1,2-dichlorobenzene 605.72
    ethyl lactate 272.15
    propylene carbonate 695.8
    n-methylformamide 290.55
    2-pentanol 465.22
    n-pentane 257.73
    1-propoxy-2-propanol 528.63
    1-methoxy-2-propyl acetate 459.03
    2-(2-methoxypropoxy) propanol 505.42
    mesitylene 351.61
    ε-caprolactone 789.97
    p-cymene 378.6
    epichlorohydrin 731.04
    1,1,1-trichloroethane 1083.43
    2-aminoethanol 210.13
    morpholine-4-carbaldehyde 799.73
    sulfolane 1023.04
    2,2,4-trimethylpentane 201.21
    2-methyltetrahydrofuran 921.09
    n-hexyl acetate 759.18
    isooctane 146.5
    2-(2-butoxyethoxy)ethanol 508.17
    sec-butyl acetate 309.93
    tert-butyl acetate 466.19
    decalin 287.72
    glycerin 288.54
    diglyme 654.86
    acrylic acid 355.82
    isopropyl myristate 380.51
    n-butyric acid 526.18
    acetyl acetate 355.23
    di(2-ethylhexyl) phthalate 342.32
    ethyl propionate 359.41
    nitromethane 543.03
    1,2-diethoxyethane 352.8
    benzonitrile 540.44
    trioctyl phosphate 288.46
    1-bromopropane 567.02
    gamma-valerolactone 927.44
    n-decanol 397.33
    triethyl phosphate 287.9
    4-methyl-2-pentanol 352.42
    propionitrile 409.16
    vinylene carbonate 602.68
    1,1,2-trichlorotrifluoroethane 676.43
    DMS 465.19
    cumene 379.36
    2-octanol 446.45
    2-hexanone 413.77
    octyl acetate 477.94
    limonene 520.62
    1,2-dimethoxyethane 577.11
    ethyl orthosilicate 269.46
    tributyl phosphate 323.06
    diacetone alcohol 526.23
    N,N-dimethylaniline 499.84
    acrylonitrile 447.85
    aniline 433.53
    1,3-propanediol 276.51
    bromobenzene 639.03
    dibromomethane 937.08
    1,1,2,2-tetrachloroethane 1347.55
    2-methyl-cyclohexyl acetate 499.47
    tetrabutyl urea 408.69
    diisobutyl methanol 329.15
    2-phenylethanol 490.7
    styrene 453.34
    dioctyl adipate 467.25
    dimethyl sulfate 385.88
    ethyl butyrate 419.76
    methyl lactate 303.98
    butyl lactate 377.54
    diethyl carbonate 330.6
    propanediol butyl ether 495.25
    triethyl orthoformate 330.18
    p-tert-butyltoluene 411.22
    methyl 4-tert-butylbenzoate 592.54
    morpholine 724.29
    tert-butylamine 682.17
    n-dodecanol 333.53
    dimethoxymethane 435.31
    ethylene carbonate 456.76
    cyrene 484.59
    2-ethoxyethyl acetate 329.34
    2-ethylhexyl acetate 445.66
    1,2,4-trichlorobenzene 735.73
    4-methylpyridine 752.27
    dibutyl ether 474.31
    2,6-dimethyl-4-heptanol 329.15
    DEF 505.91
    dimethyl isosorbide 767.31
    tetrachloroethylene 720.87
    eugenol 508.08
    triacetin 571.78
    span 80 619.33
    1,4-butanediol 158.96
    1,1-dichloroethane 888.84
    2-methyl-1-pentanol 404.65
    methyl formate 286.39
    2-methyl-1-butanol 485.8
    n-decane 228.18
    butyronitrile 480.72
    3,7-dimethyl-1-octanol 544.32
    1-chlorooctane 472.43
    1-chlorotetradecane 252.55
    n-nonane 246.22
    undecane 184.91
    tert-butylcyclohexane 287.06
    cyclooctane 212.34
    cyclopentanol 721.85
    tetrahydropyran 819.81
    tert-amyl methyl ether 565.35
    2,5,8-trioxanonane 567.04
    1-hexene 543.22
    2-isopropoxyethanol 265.64
    2,2,2-trifluoroethanol 183.5
    methyl butyrate 465.31

    Scent© AI

1 3

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 (Italy) 3 8015-92-7 Anthemis nobilis L., fam. Asteraceae (Compositae) 7.4%
Roman chamomile (Italy) 2 (headspace) 8015-92-7 Anthemis nobilis L., fam. Asteraceae (Compositae) 5.8%