Benzoic acid, 4-methoxy-, 3-hexenyl ester, (Z)-

Overview IFRA Request a quote

  • Identifiers

    CAS number
    121432-33-5

    Molecular formula
    C6H14N2O

    SMILES
    CCC(C)CNCN=O

  • Odor profile

    Fragrance
    Fishy 54.63%
    Cheesy 44.57%
    Ripe 27.36%
    Pungent 26.86%
    Odorless 25.29%
    Savory 23.61%
    Green 22.99%
    Meaty 22.41%
    Fresh 21.51%
    Oily 21.09%

     

    Flavor
    Green 34.64%
    Herbal 25.69%
    Mild 20.14%
    Tomato leaf 19.98%
    Bloody 19.91%
    Yeasty 19.72%
    Syrup 19.69%
    Glue 19.49%
    Acrid 19.47%
    Carrot 19.23%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.9

    pKa est.
    9.02 (weak base)

    Molecular weight
    130.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    176°C

    Flash point

    • 59.53 ˚C est.

  • Synonyms

    • 121432-33-5
    • 2-Methyl-N-(nitrosomethyl)butan-1-amine
    • Benzoic acid, 4-methoxy-, 3-hexenyl ester, (Z)-
    • (Z)-3-hexen-1-yl anisate
    • DTXSID50611084
    • HPDWXKAIDOKHOC-UHFFFAOYSA-N

  • Applications

    Benzoic acid, 4-methoxy-, 3-hexenyl ester, (Z)- (CAS 121432-33-5) is primarily used as a fragrance ingredient and odorant in perfumery and cosmetics, contributing a green, fresh note from the 3-hexenyl moiety and often functioning as a scent fixative to help stabilize and extend fragrances. It is commonly evaluated for use in household products such as air fresheners and cleaners to impart aromatic character. In the flavor and beverage sectors, it may be used as a minor aroma component to contribute green notes in limited formulations. As an ester derivative, it can serve as an intermediate in the synthesis of other aroma compounds, including anisyl esters, and may be employed in coatings, inks, or adhesives where fragrance release or scent enhancement is desired. It should be used within formulation limits and in accordance with local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 62.09
    methanol 151.7
    isopropanol 18.53
    water 16.06
    ethyl acetate 26.11
    n-propanol 40.45
    acetone 56.46
    n-butanol 27.94
    acetonitrile 17.18
    DMF 111.86
    toluene 10.36
    isobutanol 29.52
    1,4-dioxane 23.91
    methyl acetate 26.55
    THF 91.45
    2-butanone 39.48
    n-pentanol 20.63
    sec-butanol 18.79
    n-hexane 2.03
    ethylene glycol 82.64
    NMP 547.69
    cyclohexane 2.96
    DMSO 649.17
    n-butyl acetate 83.71
    n-octanol 14.39
    chloroform 93.17
    n-propyl acetate 31.13
    acetic acid 344.27
    dichloromethane 114.0
    cyclohexanone 135.76
    propylene glycol 65.71
    isopropyl acetate 22.95
    DMAc 118.04
    2-ethoxyethanol 59.73
    isopentanol 32.0
    n-heptane 2.3
    ethyl formate 46.78
    1,2-dichloroethane 88.32
    n-hexanol 38.55
    2-methoxyethanol 115.28
    isobutyl acetate 24.28
    tetrachloromethane 34.2
    n-pentyl acetate 34.45
    transcutol 473.24
    n-heptanol 18.23
    ethylbenzene 9.16
    MIBK 29.32
    2-propoxyethanol 98.47
    tert-butanol 35.48
    MTBE 12.82
    2-butoxyethanol 57.41
    propionic acid 130.12
    o-xylene 17.3
    formic acid 326.49
    diethyl ether 5.4
    m-xylene 13.95
    p-xylene 14.66
    chlorobenzene 46.41
    dimethyl carbonate 24.52
    n-octane 0.75
    formamide 279.73
    cyclopentanone 234.76
    2-pentanone 29.6
    anisole 24.95
    cyclopentyl methyl ether 42.35
    gamma-butyrolactone 319.71
    1-methoxy-2-propanol 60.77
    pyridine 58.6
    3-pentanone 24.52
    furfural 389.31
    n-dodecane 0.61
    diethylene glycol 124.94
    diisopropyl ether 4.58
    tert-amyl alcohol 38.92
    acetylacetone 81.91
    n-hexadecane 0.68
    acetophenone 63.87
    methyl propionate 31.19
    isopentyl acetate 85.81
    trichloroethylene 257.89
    n-nonanol 12.97
    cyclohexanol 38.6
    benzyl alcohol 41.81
    2-ethylhexanol 31.35
    isooctanol 16.86
    dipropyl ether 13.4
    1,2-dichlorobenzene 83.56
    ethyl lactate 40.92
    propylene carbonate 196.29
    n-methylformamide 131.81
    2-pentanol 12.46
    n-pentane 1.19
    1-propoxy-2-propanol 75.84
    1-methoxy-2-propyl acetate 102.51
    2-(2-methoxypropoxy) propanol 99.5
    mesitylene 13.13
    ε-caprolactone 141.34
    p-cymene 21.01
    epichlorohydrin 203.11
    1,1,1-trichloroethane 71.92
    2-aminoethanol 101.06
    morpholine-4-carbaldehyde 202.76
    sulfolane 958.54
    2,2,4-trimethylpentane 2.59
    2-methyltetrahydrofuran 65.96
    n-hexyl acetate 47.43
    isooctane 1.69
    2-(2-butoxyethoxy)ethanol 125.86
    sec-butyl acetate 21.81
    tert-butyl acetate 45.99
    decalin 3.71
    glycerin 139.48
    diglyme 179.04
    acrylic acid 187.57
    isopropyl myristate 16.14
    n-butyric acid 123.84
    acetyl acetate 47.17
    di(2-ethylhexyl) phthalate 44.38
    ethyl propionate 24.44
    nitromethane 295.51
    1,2-diethoxyethane 35.26
    benzonitrile 49.1
    trioctyl phosphate 24.94
    1-bromopropane 17.22
    gamma-valerolactone 285.58
    n-decanol 9.36
    triethyl phosphate 41.44
    4-methyl-2-pentanol 13.85
    propionitrile 17.52
    vinylene carbonate 160.31
    1,1,2-trichlorotrifluoroethane 392.02
    DMS 70.05
    cumene 12.72
    2-octanol 9.17
    2-hexanone 29.73
    octyl acetate 23.07
    limonene 28.44
    1,2-dimethoxyethane 46.06
    ethyl orthosilicate 35.27
    tributyl phosphate 39.52
    diacetone alcohol 99.5
    N,N-dimethylaniline 29.95
    acrylonitrile 41.72
    aniline 37.08
    1,3-propanediol 89.09
    bromobenzene 40.23
    dibromomethane 58.01
    1,1,2,2-tetrachloroethane 202.67
    2-methyl-cyclohexyl acetate 63.25
    tetrabutyl urea 45.19
    diisobutyl methanol 19.0
    2-phenylethanol 59.95
    styrene 10.09
    dioctyl adipate 42.79
    dimethyl sulfate 124.61
    ethyl butyrate 47.3
    methyl lactate 61.56
    butyl lactate 65.9
    diethyl carbonate 37.47
    propanediol butyl ether 98.01
    triethyl orthoformate 37.99
    p-tert-butyltoluene 19.96
    methyl 4-tert-butylbenzoate 82.95
    morpholine 40.95
    tert-butylamine 17.24
    n-dodecanol 6.73
    dimethoxymethane 32.68
    ethylene carbonate 99.47
    cyrene 125.98
    2-ethoxyethyl acetate 63.97
    2-ethylhexyl acetate 64.16
    1,2,4-trichlorobenzene 117.32
    4-methylpyridine 46.25
    dibutyl ether 9.95
    2,6-dimethyl-4-heptanol 19.0
    DEF 49.6
    dimethyl isosorbide 219.48
    tetrachloroethylene 180.71
    eugenol 83.72
    triacetin 82.97
    span 80 89.55
    1,4-butanediol 38.57
    1,1-dichloroethane 37.69
    2-methyl-1-pentanol 27.4
    methyl formate 94.95
    2-methyl-1-butanol 32.54
    n-decane 0.94
    butyronitrile 16.62
    3,7-dimethyl-1-octanol 24.37
    1-chlorooctane 7.9
    1-chlorotetradecane 2.77
    n-nonane 0.87
    undecane 0.75
    tert-butylcyclohexane 3.82
    cyclooctane 1.43
    cyclopentanol 64.1
    tetrahydropyran 20.06
    tert-amyl methyl ether 14.3
    2,5,8-trioxanonane 141.69
    1-hexene 5.4
    2-isopropoxyethanol 37.84
    2,2,2-trifluoroethanol 168.85
    methyl butyrate 42.98

    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