Buten-2-yl (3-methylbutoxy)acetate

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  • Identifiers

    CAS number
    72894-11-2

    Molecular formula
    C11H20O3

    SMILES
    CC=CCOC(=O)COCCC(C)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 83.52%
    Green 65.73%
    Herbal 56.05%
    Apple 55.16%
    Winey 37.53%
    Fresh 35.06%
    Tropical 33.65%
    Oily 32.9%
    Sweet 32.31%
    Pineapple 31.8%

     

    Flavor
    Fruity 63.09%
    Green 53.46%
    Tropical 42.74%
    Apple 36.18%
    Sweet 35.69%
    Pineapple 31.88%
    Waxy 28.53%
    Pear 27.66%
    Banana 26.34%
    Fruit 25.76%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    7.46 (neutral)

    Molecular weight
    200.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    238°C

    Flash point

    • 102.29 ˚C est.

  • Synonyms

    • Buten-2-yl (3-methylbutoxy)acetate
    • 72894-11-2
    • DTXSID2072629
    • RefChem:330944
    • DTXCID4047381
    • 276-962-2
    • but-2-enyl 2-(3-methylbutoxy)acetate
    • SCHEMBL29827432
    • HAQZXWILUDCVSQ-UHFFFAOYSA-N
    • But-2-en-1-yl (3-methylbutoxy)acetate
    • 72894-11-2

  • Applications

    Buten-2-yl (3-methylbutoxy)acetate (CAS 72894-11-2) finds practical use across fragrance, coatings, and industrial formulation sectors. In perfumery, it serves as an aroma chemical and can act as a fixative or a slow-evaporating component to extend fragrance life. It is often used as a solvent/diluent for fragrance blends and cosmetic formulations, helping dissolve and blend ester-containing ingredients. As an ester, it also serves as an intermediate in the synthesis of other fragrance esters and related compounds. In coatings, inks, and adhesive systems, it can function as a processing solvent or plasticizer-like additive to improve solubility and film formation. In polymer and plastics processing, it may be employed as a processing aid or co-solvent depending on formulation requirements and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 897.8
    methanol 977.13
    isopropanol 589.0
    water 0.59
    ethyl acetate 863.13
    n-propanol 676.97
    acetone 1422.55
    n-butanol 625.07
    acetonitrile 748.89
    DMF 1310.29
    toluene 329.79
    isobutanol 512.22
    1,4-dioxane 807.5
    methyl acetate 794.63
    THF 1328.87
    2-butanone 1034.87
    n-pentanol 393.49
    sec-butanol 608.36
    n-hexane 83.82
    ethylene glycol 201.01
    NMP 1424.28
    cyclohexane 171.97
    DMSO 2613.37
    n-butyl acetate 623.96
    n-octanol 175.01
    chloroform 3141.07
    n-propyl acetate 489.79
    acetic acid 1352.31
    dichloromethane 2846.72
    cyclohexanone 1599.54
    propylene glycol 372.63
    isopropyl acetate 429.63
    DMAc 1052.74
    2-ethoxyethanol 574.33
    isopentanol 503.73
    n-heptane 37.79
    ethyl formate 526.33
    1,2-dichloroethane 1975.79
    n-hexanol 414.48
    2-methoxyethanol 1077.05
    isobutyl acetate 270.77
    tetrachloromethane 388.27
    n-pentyl acetate 314.75
    transcutol 2287.23
    n-heptanol 161.11
    ethylbenzene 200.72
    MIBK 401.86
    2-propoxyethanol 655.26
    tert-butanol 721.26
    MTBE 492.03
    2-butoxyethanol 348.76
    propionic acid 783.15
    o-xylene 272.03
    formic acid 421.14
    diethyl ether 468.19
    m-xylene 258.28
    p-xylene 288.07
    chlorobenzene 754.41
    dimethyl carbonate 272.05
    n-octane 14.25
    formamide 694.79
    cyclopentanone 1752.36
    2-pentanone 736.5
    anisole 430.33
    cyclopentyl methyl ether 687.68
    gamma-butyrolactone 1699.6
    1-methoxy-2-propanol 772.23
    pyridine 1058.87
    3-pentanone 588.58
    furfural 1528.34
    n-dodecane 11.32
    diethylene glycol 558.67
    diisopropyl ether 145.8
    tert-amyl alcohol 709.61
    acetylacetone 878.64
    n-hexadecane 13.58
    acetophenone 511.24
    methyl propionate 626.41
    isopentyl acetate 544.03
    trichloroethylene 3987.69
    n-nonanol 147.53
    cyclohexanol 770.12
    benzyl alcohol 437.15
    2-ethylhexanol 259.91
    isooctanol 141.64
    dipropyl ether 222.33
    1,2-dichlorobenzene 803.67
    ethyl lactate 282.84
    propylene carbonate 917.46
    n-methylformamide 766.27
    2-pentanol 420.54
    n-pentane 64.46
    1-propoxy-2-propanol 505.2
    1-methoxy-2-propyl acetate 585.37
    2-(2-methoxypropoxy) propanol 492.48
    mesitylene 176.64
    ε-caprolactone 1123.64
    p-cymene 148.65
    epichlorohydrin 1958.24
    1,1,1-trichloroethane 1728.93
    2-aminoethanol 426.4
    morpholine-4-carbaldehyde 996.11
    sulfolane 2456.15
    2,2,4-trimethylpentane 47.15
    2-methyltetrahydrofuran 1123.14
    n-hexyl acetate 468.48
    isooctane 29.5
    2-(2-butoxyethoxy)ethanol 629.52
    sec-butyl acetate 313.25
    tert-butyl acetate 507.76
    decalin 76.25
    glycerin 442.65
    diglyme 1027.25
    acrylic acid 761.41
    isopropyl myristate 156.63
    n-butyric acid 1076.61
    acetyl acetate 571.28
    di(2-ethylhexyl) phthalate 195.09
    ethyl propionate 415.59
    nitromethane 2091.96
    1,2-diethoxyethane 494.3
    benzonitrile 582.77
    trioctyl phosphate 128.89
    1-bromopropane 841.16
    gamma-valerolactone 1560.72
    n-decanol 107.13
    triethyl phosphate 207.08
    4-methyl-2-pentanol 217.82
    propionitrile 547.89
    vinylene carbonate 793.15
    1,1,2-trichlorotrifluoroethane 1805.28
    DMS 458.55
    cumene 150.09
    2-octanol 116.63
    2-hexanone 499.43
    octyl acetate 207.71
    limonene 236.96
    1,2-dimethoxyethane 769.78
    ethyl orthosilicate 189.68
    tributyl phosphate 193.07
    diacetone alcohol 691.6
    N,N-dimethylaniline 297.34
    acrylonitrile 793.57
    aniline 570.54
    1,3-propanediol 579.16
    bromobenzene 806.8
    dibromomethane 1957.23
    1,1,2,2-tetrachloroethane 3375.83
    2-methyl-cyclohexyl acetate 363.89
    tetrabutyl urea 227.56
    diisobutyl methanol 158.27
    2-phenylethanol 413.74
    styrene 264.25
    dioctyl adipate 291.26
    dimethyl sulfate 573.7
    ethyl butyrate 411.72
    methyl lactate 414.71
    butyl lactate 335.0
    diethyl carbonate 288.1
    propanediol butyl ether 467.21
    triethyl orthoformate 255.48
    p-tert-butyltoluene 140.35
    methyl 4-tert-butylbenzoate 385.69
    morpholine 1175.6
    tert-butylamine 448.33
    n-dodecanol 80.98
    dimethoxymethane 542.32
    ethylene carbonate 631.81
    cyrene 463.25
    2-ethoxyethyl acetate 445.14
    2-ethylhexyl acetate 403.69
    1,2,4-trichlorobenzene 977.37
    4-methylpyridine 962.19
    dibutyl ether 215.66
    2,6-dimethyl-4-heptanol 158.27
    DEF 779.71
    dimethyl isosorbide 752.83
    tetrachloroethylene 1843.88
    eugenol 385.02
    triacetin 518.99
    span 80 439.75
    1,4-butanediol 250.15
    1,1-dichloroethane 1677.04
    2-methyl-1-pentanol 379.42
    methyl formate 573.24
    2-methyl-1-butanol 528.73
    n-decane 20.01
    butyronitrile 593.36
    3,7-dimethyl-1-octanol 234.82
    1-chlorooctane 134.42
    1-chlorotetradecane 48.0
    n-nonane 20.19
    undecane 14.43
    tert-butylcyclohexane 57.4
    cyclooctane 47.6
    cyclopentanol 760.74
    tetrahydropyran 963.26
    tert-amyl methyl ether 398.03
    2,5,8-trioxanonane 719.94
    1-hexene 268.19
    2-isopropoxyethanol 384.17
    2,2,2-trifluoroethanol 413.93
    methyl butyrate 611.28

    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