2-Hexenyl 2-methylbutyrate, (2E)-

Overview IFRA Request a quote

  • Identifiers

    CAS number
    94089-01-7

    Molecular formula
    C11H20O2

    SMILES
    CCC/C=C/COC(=O)C(C)CC

  • Odor profile

    Fragrance
    Fruity 93.96%
    Green 85.8%
    Apple 72.93%
    Tropical 64.49%
    Pear 56.21%
    Waxy 52.9%
    Pineapple 51.62%
    Fresh 44.98%
    Banana 43.71%
    Fatty 42.35%

     

    Flavor
    Green 86.1%
    Fruity 85.27%
    Apple 69.37%
    Pear 54.38%
    Waxy 53.64%
    Tropical 48.71%
    Sweet 47.74%
    Fresh 35.68%
    Pineapple 32.32%
    Banana 31.71%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    8.22 (weak base)

    Molecular weight
    184.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    219°C

    Flash point

    • 89.49 ˚C est.

    Solubility expt.

    • Insoluble in water; soluble in non-polar solvents
    • Soluble (in ethanol)

  • Synonyms

    • TRANS-2-HEXENYL 2-METHYLBUTYRATE
    • 94089-01-7
    • [(E)-hex-2-enyl] 2-methylbutanoate
    • (E)-2-Hexenyl 2-methylbutyrate
    • trans-2-Hexenyl 2-methylbutanoate
    • 2-Hexenyl 2-methylbutyrate, (2E)-
    • (E)-Hex-2-enyl 2-methylbutyrate
    • EINECS 302-103-9
    • K6390PB417
    • FEMA NO. 4274
    • (2E)-HEX-2-EN-1-YL 2-METHYLBUTANOATE
    • DTXSID501292148
    • Butanoic acid, 2-methyl-, (2E)-2-hexenyl ester
    • (2E)-2-Hexen-1-yl 2-methylbutanoate
    • 2-HEXENYL 2-METHYLBUTYRATE, TRANS-
    • TRANS-2-HEXENYL 2-METHYLBUTYRATE [FHFI]
    • (E)-2-HEXENYL 2-METHYLBUTYRATE, (+/-)-
    • BUTANOIC ACID, 2-METHYL-, 2-HEXENYL ESTER, (E)-
    • BUTANOIC ACID, 2-METHYL-, (2E)-2-HEXEN-1-YL ESTER
    • UNII-K6390PB417
    • trans-2-Hexenyl 2-methyl butyrate
    • SCHEMBL3505963
    • SCHEMBL18055666
    • DTXCID40910755
    • CHEBI:172044
    • (2E)-2-hexenyl 2-methylbutyrate
    • LMFA07011028
    • NS00065130
    • Q27282000

  • Applications

    2-Hexenyl 2-methylbutyrate, (2E)- is primarily used as a fragrance ingredient and aroma compound. In perfumery it provides green, fruity notes and is often incorporated into cosmetic and personal care formulations, as well as household products such as cleaners and air fresheners to impart a lasting odor. It is also employed as a fragrance additive in coatings and inks, and may function as an intermediate in fragrance-synthesis routes within industrial manufacturing. Use is typically formulation-specific and subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7652.95
    methanol 7961.85
    isopropanol 6437.0
    water 0.75
    ethyl acetate 9999.32
    n-propanol 6219.37
    acetone 13190.47
    n-butanol 6206.03
    acetonitrile 10413.06
    DMF 8683.51
    toluene 3274.08
    isobutanol 5836.01
    1,4-dioxane 7787.76
    methyl acetate 6901.01
    THF 8421.46
    2-butanone 9546.95
    n-pentanol 4111.33
    sec-butanol 6581.77
    n-hexane 1920.17
    ethylene glycol 468.12
    NMP 6303.01
    cyclohexane 2462.25
    DMSO 6972.17
    n-butyl acetate 7562.53
    n-octanol 1944.34
    chloroform 14477.16
    n-propyl acetate 5720.1
    acetic acid 6335.44
    dichloromethane 14060.29
    cyclohexanone 10693.6
    propylene glycol 937.15
    isopropyl acetate 5892.09
    DMAc 5505.59
    2-ethoxyethanol 3685.68
    isopentanol 6176.92
    n-heptane 564.48
    ethyl formate 4307.42
    1,2-dichloroethane 10410.63
    n-hexanol 4247.02
    2-methoxyethanol 5263.98
    isobutyl acetate 3165.06
    tetrachloromethane 2632.69
    n-pentyl acetate 3679.19
    transcutol 12590.82
    n-heptanol 1723.32
    ethylbenzene 2020.2
    MIBK 4079.29
    2-propoxyethanol 4380.57
    tert-butanol 8547.72
    MTBE 11020.07
    2-butoxyethanol 2453.89
    propionic acid 4370.08
    o-xylene 1897.7
    formic acid 1140.6
    diethyl ether 10277.6
    m-xylene 2030.22
    p-xylene 2727.04
    chlorobenzene 4929.48
    dimethyl carbonate 1411.04
    n-octane 286.27
    formamide 2123.14
    cyclopentanone 8670.95
    2-pentanone 8202.8
    anisole 3258.44
    cyclopentyl methyl ether 5805.25
    gamma-butyrolactone 8448.18
    1-methoxy-2-propanol 4183.12
    pyridine 8260.31
    3-pentanone 5435.72
    furfural 5480.61
    n-dodecane 187.4
    diethylene glycol 1967.78
    diisopropyl ether 2821.03
    tert-amyl alcohol 7964.53
    acetylacetone 6278.15
    n-hexadecane 224.64
    acetophenone 2921.26
    methyl propionate 5275.74
    isopentyl acetate 5882.32
    trichloroethylene 16831.43
    n-nonanol 1585.36
    cyclohexanol 6015.84
    benzyl alcohol 2274.2
    2-ethylhexanol 2717.11
    isooctanol 1557.04
    dipropyl ether 3147.88
    1,2-dichlorobenzene 3930.76
    ethyl lactate 1281.25
    propylene carbonate 4397.47
    n-methylformamide 4251.74
    2-pentanol 5660.87
    n-pentane 1265.97
    1-propoxy-2-propanol 3637.66
    1-methoxy-2-propyl acetate 3806.39
    2-(2-methoxypropoxy) propanol 1966.06
    mesitylene 1316.33
    ε-caprolactone 8037.3
    p-cymene 986.67
    epichlorohydrin 9581.7
    1,1,1-trichloroethane 10544.59
    2-aminoethanol 1533.63
    morpholine-4-carbaldehyde 5033.87
    sulfolane 6998.53
    2,2,4-trimethylpentane 615.24
    2-methyltetrahydrofuran 9134.46
    n-hexyl acetate 4603.3
    isooctane 509.21
    2-(2-butoxyethoxy)ethanol 3023.57
    sec-butyl acetate 3868.87
    tert-butyl acetate 4844.88
    decalin 887.12
    glycerin 960.76
    diglyme 5228.11
    acrylic acid 3079.49
    isopropyl myristate 1353.73
    n-butyric acid 7768.4
    acetyl acetate 4271.17
    di(2-ethylhexyl) phthalate 969.78
    ethyl propionate 4424.49
    nitromethane 9654.61
    1,2-diethoxyethane 6300.43
    benzonitrile 4261.55
    trioctyl phosphate 773.81
    1-bromopropane 7731.59
    gamma-valerolactone 8249.24
    n-decanol 1067.75
    triethyl phosphate 1087.16
    4-methyl-2-pentanol 2542.75
    propionitrile 6858.97
    vinylene carbonate 3911.89
    1,1,2-trichlorotrifluoroethane 4859.54
    DMS 2485.08
    cumene 1242.89
    2-octanol 1510.97
    2-hexanone 5325.07
    octyl acetate 1720.95
    limonene 1732.27
    1,2-dimethoxyethane 7130.35
    ethyl orthosilicate 1158.74
    tributyl phosphate 1145.15
    diacetone alcohol 3597.74
    N,N-dimethylaniline 1966.64
    acrylonitrile 6708.87
    aniline 3640.12
    1,3-propanediol 2851.71
    bromobenzene 5626.43
    dibromomethane 10353.69
    1,1,2,2-tetrachloroethane 13238.54
    2-methyl-cyclohexyl acetate 2213.06
    tetrabutyl urea 1335.09
    diisobutyl methanol 1354.96
    2-phenylethanol 2274.48
    styrene 2785.53
    dioctyl adipate 1573.15
    dimethyl sulfate 1831.17
    ethyl butyrate 3845.76
    methyl lactate 1350.09
    butyl lactate 2014.06
    diethyl carbonate 2140.71
    propanediol butyl ether 2175.93
    triethyl orthoformate 1981.52
    p-tert-butyltoluene 926.81
    methyl 4-tert-butylbenzoate 1834.98
    morpholine 10137.39
    tert-butylamine 6275.38
    n-dodecanol 756.65
    dimethoxymethane 4340.88
    ethylene carbonate 3562.79
    cyrene 1451.05
    2-ethoxyethyl acetate 3830.17
    2-ethylhexyl acetate 4320.33
    1,2,4-trichlorobenzene 3969.93
    4-methylpyridine 9148.92
    dibutyl ether 3543.15
    2,6-dimethyl-4-heptanol 1354.96
    DEF 7897.51
    dimethyl isosorbide 3001.98
    tetrachloroethylene 8042.76
    eugenol 1778.91
    triacetin 2546.53
    span 80 2004.96
    1,4-butanediol 1186.81
    1,1-dichloroethane 12680.06
    2-methyl-1-pentanol 4280.03
    methyl formate 2767.75
    2-methyl-1-butanol 5956.56
    n-decane 363.41
    butyronitrile 8686.19
    3,7-dimethyl-1-octanol 2025.11
    1-chlorooctane 1677.37
    1-chlorotetradecane 527.48
    n-nonane 394.38
    undecane 248.4
    tert-butylcyclohexane 806.5
    cyclooctane 570.5
    cyclopentanol 4586.37
    tetrahydropyran 11922.18
    tert-amyl methyl ether 6305.42
    2,5,8-trioxanonane 2978.4
    1-hexene 5248.93
    2-isopropoxyethanol 2951.47
    2,2,2-trifluoroethanol 1422.0
    methyl butyrate 6575.25

    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