2-Butenoic acid, 3-methyl-, 3-methyl-3-buten-1-yl ester

Overview IFRA Request a quote

  • Identifiers

    CAS number
    72928-35-9

    Molecular formula
    C10H16O2

    SMILES
    CC(=CC(=O)OCCC(=C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Green 77.85%
    Herbal 73.04%
    Fruity 71.29%
    Sweet 50.92%
    Floral 46.35%
    Chamomile 45.88%
    Apple 45.68%
    Mint 44.02%
    Rose 41.81%
    Spicy 40.76%

     

    Flavor
    Fruity 56.47%
    Sweet 43.1%
    Green 42.11%
    Berry 32.03%
    Tropical 29.61%
    Spicy 27.49%
    Woody 27.28%
    Herbal 26.69%
    Dry 26.2%
    Lavender 22.32%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    8.15 (weak base)

    Molecular weight
    168.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    216°C

    Flash point

    • 74.04 ˚C est.

  • Synonyms

    • 72928-35-9
    • Isoprenyl senecioate
    • 2-Butenoic acid, 3-methyl-, 3-methyl-3-butenyl ester
    • 3-methylbut-3-enyl 3-methylbut-2-enoate
    • 3-Methyl-3-butenyl 3-methyl-2-butenoate
    • EINECS 277-069-0
    • 2-Butenoic acid, 3-methyl-, 3-methyl-3-buten-1-yl ester
    • DTXSID3072666
    • RefChem:468033
    • DTXCID9047419
    • 277-069-0
    • 3-methylbut-3-en-1-yl 3-methylbut-2-enoate
    • 3-methyl-but-3-en-1-yl 3-methyl-but-2-enoate
    • PUA7GWY6FV
    • NS00012715
    • 72928-35-9

  • Applications

    2-Butenoic acid, 3-methyl-, 3-methyl-3-buten-1-yl ester (CAS 72928-35-9) is typically used as an intermediate in organic synthesis and as a fragrance-related ester in perfumery, where it may function as a fragrance ingredient or fixative; it may also appear in cosmetics and personal care as an aroma component; in coatings, inks, and adhesives, it can serve as a reactive monomer or plasticizer additive in specialty formulations; in polymers and plastics, it can be used as a monomer or modifier to tailor material properties; all uses are subject to formulation limits and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 508.99
    methanol 500.9
    isopropanol 493.8
    water 1.8
    ethyl acetate 308.52
    n-propanol 415.55
    acetone 482.82
    n-butanol 396.28
    acetonitrile 273.03
    DMF 570.46
    toluene 92.96
    isobutanol 341.14
    1,4-dioxane 575.37
    methyl acetate 307.92
    THF 959.72
    2-butanone 364.67
    n-pentanol 263.85
    sec-butanol 455.4
    n-hexane 80.22
    ethylene glycol 112.59
    NMP 732.47
    cyclohexane 85.61
    DMSO 430.26
    n-butyl acetate 331.07
    n-octanol 258.42
    chloroform 1001.2
    n-propyl acetate 206.94
    acetic acid 777.96
    dichloromethane 609.61
    cyclohexanone 618.96
    propylene glycol 332.84
    isopropyl acetate 215.52
    DMAc 517.1
    2-ethoxyethanol 255.6
    isopentanol 345.23
    n-heptane 52.63
    ethyl formate 215.82
    1,2-dichloroethane 338.9
    n-hexanol 474.36
    2-methoxyethanol 532.0
    isobutyl acetate 168.38
    tetrachloromethane 94.98
    n-pentyl acetate 193.34
    transcutol 989.63
    n-heptanol 211.25
    ethylbenzene 102.41
    MIBK 210.22
    2-propoxyethanol 519.98
    tert-butanol 723.99
    MTBE 330.65
    2-butoxyethanol 277.24
    propionic acid 437.53
    o-xylene 104.63
    formic acid 178.48
    diethyl ether 203.77
    m-xylene 108.06
    p-xylene 151.17
    chlorobenzene 225.94
    dimethyl carbonate 119.23
    n-octane 25.28
    formamide 160.93
    cyclopentanone 654.75
    2-pentanone 292.16
    anisole 230.96
    cyclopentyl methyl ether 374.39
    gamma-butyrolactone 724.74
    1-methoxy-2-propanol 531.91
    pyridine 333.03
    3-pentanone 206.94
    furfural 555.59
    n-dodecane 25.91
    diethylene glycol 351.14
    diisopropyl ether 92.1
    tert-amyl alcohol 581.29
    acetylacetone 349.57
    n-hexadecane 28.01
    acetophenone 233.99
    methyl propionate 248.98
    isopentyl acetate 321.23
    trichloroethylene 778.23
    n-nonanol 226.54
    cyclohexanol 438.34
    benzyl alcohol 210.59
    2-ethylhexanol 276.22
    isooctanol 174.61
    dipropyl ether 197.47
    1,2-dichlorobenzene 231.24
    ethyl lactate 178.96
    propylene carbonate 509.32
    n-methylformamide 242.94
    2-pentanol 331.25
    n-pentane 56.46
    1-propoxy-2-propanol 452.28
    1-methoxy-2-propyl acetate 328.42
    2-(2-methoxypropoxy) propanol 388.14
    mesitylene 80.89
    ε-caprolactone 549.44
    p-cymene 106.69
    epichlorohydrin 618.9
    1,1,1-trichloroethane 413.03
    2-aminoethanol 270.27
    morpholine-4-carbaldehyde 599.42
    sulfolane 819.54
    2,2,4-trimethylpentane 44.08
    2-methyltetrahydrofuran 626.6
    n-hexyl acetate 376.1
    isooctane 33.8
    2-(2-butoxyethoxy)ethanol 480.22
    sec-butyl acetate 156.27
    tert-butyl acetate 291.71
    decalin 54.75
    glycerin 332.05
    diglyme 571.62
    acrylic acid 337.45
    isopropyl myristate 178.02
    n-butyric acid 582.78
    acetyl acetate 239.61
    di(2-ethylhexyl) phthalate 174.96
    ethyl propionate 196.26
    nitromethane 609.46
    1,2-diethoxyethane 258.62
    benzonitrile 248.01
    trioctyl phosphate 137.7
    1-bromopropane 228.21
    gamma-valerolactone 801.59
    n-decanol 178.39
    triethyl phosphate 137.25
    4-methyl-2-pentanol 202.12
    propionitrile 242.68
    vinylene carbonate 418.5
    1,1,2-trichlorotrifluoroethane 572.48
    DMS 233.3
    cumene 100.98
    2-octanol 171.91
    2-hexanone 244.48
    octyl acetate 227.16
    limonene 172.12
    1,2-dimethoxyethane 427.92
    ethyl orthosilicate 134.14
    tributyl phosphate 172.06
    diacetone alcohol 435.54
    N,N-dimethylaniline 182.49
    acrylonitrile 254.41
    aniline 207.01
    1,3-propanediol 383.92
    bromobenzene 199.0
    dibromomethane 441.17
    1,1,2,2-tetrachloroethane 756.88
    2-methyl-cyclohexyl acetate 268.88
    tetrabutyl urea 210.68
    diisobutyl methanol 164.71
    2-phenylethanol 267.33
    styrene 115.85
    dioctyl adipate 251.54
    dimethyl sulfate 193.04
    ethyl butyrate 232.65
    methyl lactate 231.88
    butyl lactate 227.44
    diethyl carbonate 177.26
    propanediol butyl ether 391.96
    triethyl orthoformate 188.47
    p-tert-butyltoluene 109.67
    methyl 4-tert-butylbenzoate 305.66
    morpholine 701.22
    tert-butylamine 412.09
    n-dodecanol 145.63
    dimethoxymethane 287.78
    ethylene carbonate 349.17
    cyrene 316.71
    2-ethoxyethyl acetate 228.03
    2-ethylhexyl acetate 237.8
    1,2,4-trichlorobenzene 304.62
    4-methylpyridine 355.8
    dibutyl ether 220.23
    2,6-dimethyl-4-heptanol 164.71
    DEF 287.54
    dimethyl isosorbide 573.48
    tetrachloroethylene 383.59
    eugenol 289.94
    triacetin 317.7
    span 80 432.79
    1,4-butanediol 145.8
    1,1-dichloroethane 432.77
    2-methyl-1-pentanol 267.23
    methyl formate 209.28
    2-methyl-1-butanol 325.01
    n-decane 39.9
    butyronitrile 290.05
    3,7-dimethyl-1-octanol 262.59
    1-chlorooctane 144.73
    1-chlorotetradecane 68.52
    n-nonane 39.52
    undecane 31.25
    tert-butylcyclohexane 61.24
    cyclooctane 27.53
    cyclopentanol 508.86
    tetrahydropyran 555.03
    tert-amyl methyl ether 260.97
    2,5,8-trioxanonane 478.31
    1-hexene 188.18
    2-isopropoxyethanol 220.68
    2,2,2-trifluoroethanol 199.38
    methyl butyrate 270.13

    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