Methyl 4-octenoate, (Z)-

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    21063-71-8

    Molecular formula
    C9H16O2

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

  • Odor profile

    Fragrance
    Fruity 93.01%
    Green 89.33%
    Pear 64.45%
    Waxy 62.17%
    Tropical 61.91%
    Fatty 60.32%
    Melon 57.63%
    Pineapple 53.58%
    Apple 52.14%
    Fresh 45.91%

     

    Flavor
    Fruity 42.03%
    Waxy 32.52%
    Green 32.13%
    Pear 27.29%
    Floral 26.43%
    Tropical 26.16%
    Fresh 25.9%
    Oily 25.69%
    Fatty 24.05%
    Melon 23.9%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    8.62 (weak base)

    Molecular weight
    156.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    195°C

    Flash point

    • 72.9 ˚C est.

    Solubility expt.

    • soluble in ether

  • Synonyms

    • Methyl (Z)-oct-4-enoate
    • 21063-71-8
    • Methyl cis-4-octenoate
    • 4-Octenoic acid, methyl ester, (Z)-
    • Methyl 4-octenoate, (Z)-
    • 4-Octenoic acid, methyl ester, (4Z)-
    • cis-4-Octenoic acid, methyl ester
    • Methyl (Z)-4-octenoate
    • FEMA No. 3367
    • A9OC5106PK
    • EINECS 244-188-4
    • UNII-A9OC5106PK
    • DTXSID20885159
    • METHYL CIS-4-OCTENOATE [FHFI]
    • (Z)-Methyl 4-octenoate
    • Methyl (4Z)-4-octenoate
    • SCHEMBL18339165
    • (4Z)-4-octenoic acid methylester
    • DTXCID701024557
    • DB-223133
    • NS00050470
    • Q27273814

  • Applications

    Methyl 4-octenoate, (Z)- (CAS number: 21063-71-8) is primarily used as a synthetic intermediate and building block in fragrance and flavor chemistry. It is commonly evaluated as a precursor for aroma components in perfumery and related flavor applications, and may be used as a fragrance ingredient or carrier in cosmetics and household products. In the industrial sector it can serve as a reactive monomer or plasticizer derivative after functionalization, and may find use in polymers/plastics, coatings/inks, and adhesives.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2793.55
    methanol 3040.28
    isopropanol 2100.06
    water 0.32
    ethyl acetate 2109.76
    n-propanol 1875.18
    acetone 3567.11
    n-butanol 1646.56
    acetonitrile 2243.99
    DMF 2988.97
    toluene 796.64
    isobutanol 1327.94
    1,4-dioxane 2517.14
    methyl acetate 1572.64
    THF 3101.03
    2-butanone 2262.89
    n-pentanol 1214.39
    sec-butanol 1650.44
    n-hexane 348.3
    ethylene glycol 309.64
    NMP 2173.93
    cyclohexane 317.75
    DMSO 4100.79
    n-butyl acetate 1371.89
    n-octanol 388.44
    chloroform 3496.96
    n-propyl acetate 1211.95
    acetic acid 1989.04
    dichloromethane 3475.33
    cyclohexanone 2465.95
    propylene glycol 574.44
    isopropyl acetate 1157.27
    DMAc 1799.23
    2-ethoxyethanol 1483.74
    isopentanol 1405.55
    n-heptane 97.53
    ethyl formate 898.76
    1,2-dichloroethane 2349.88
    n-hexanol 975.93
    2-methoxyethanol 2230.7
    isobutyl acetate 669.06
    tetrachloromethane 563.42
    n-pentyl acetate 665.13
    transcutol 5048.81
    n-heptanol 336.22
    ethylbenzene 427.09
    MIBK 912.35
    2-propoxyethanol 1413.68
    tert-butanol 2621.27
    MTBE 2173.12
    2-butoxyethanol 661.33
    propionic acid 1335.74
    o-xylene 436.88
    formic acid 478.1
    diethyl ether 2379.82
    m-xylene 521.82
    p-xylene 489.88
    chlorobenzene 980.07
    dimethyl carbonate 386.04
    n-octane 37.7
    formamide 759.18
    cyclopentanone 2611.23
    2-pentanone 1907.46
    anisole 870.16
    cyclopentyl methyl ether 1692.08
    gamma-butyrolactone 2529.16
    1-methoxy-2-propanol 1726.33
    pyridine 2096.17
    3-pentanone 1221.68
    furfural 1696.58
    n-dodecane 27.94
    diethylene glycol 899.22
    diisopropyl ether 501.49
    tert-amyl alcohol 2008.21
    acetylacetone 1587.34
    n-hexadecane 33.24
    acetophenone 724.93
    methyl propionate 1289.34
    isopentyl acetate 1087.97
    trichloroethylene 3888.74
    n-nonanol 322.63
    cyclohexanol 1444.29
    benzyl alcohol 708.71
    2-ethylhexanol 560.64
    isooctanol 291.14
    dipropyl ether 683.31
    1,2-dichlorobenzene 841.81
    ethyl lactate 389.71
    propylene carbonate 1120.3
    n-methylformamide 1340.96
    2-pentanol 1203.15
    n-pentane 209.61
    1-propoxy-2-propanol 1041.59
    1-methoxy-2-propyl acetate 1009.17
    2-(2-methoxypropoxy) propanol 748.78
    mesitylene 311.48
    ε-caprolactone 1781.89
    p-cymene 208.11
    epichlorohydrin 2781.23
    1,1,1-trichloroethane 2167.84
    2-aminoethanol 848.59
    morpholine-4-carbaldehyde 1819.91
    sulfolane 2886.88
    2,2,4-trimethylpentane 111.67
    2-methyltetrahydrofuran 2979.48
    n-hexyl acetate 907.19
    isooctane 84.46
    2-(2-butoxyethoxy)ethanol 1075.37
    sec-butyl acetate 783.67
    tert-butyl acetate 1199.54
    decalin 158.86
    glycerin 629.3
    diglyme 1831.24
    acrylic acid 971.2
    isopropyl myristate 298.56
    n-butyric acid 1909.7
    acetyl acetate 911.28
    di(2-ethylhexyl) phthalate 279.33
    ethyl propionate 957.75
    nitromethane 2694.99
    1,2-diethoxyethane 1580.66
    benzonitrile 955.87
    trioctyl phosphate 193.63
    1-bromopropane 1707.57
    gamma-valerolactone 2381.85
    n-decanol 228.08
    triethyl phosphate 294.81
    4-methyl-2-pentanol 547.57
    propionitrile 1475.96
    vinylene carbonate 952.14
    1,1,2-trichlorotrifluoroethane 1848.9
    DMS 666.85
    cumene 264.72
    2-octanol 269.69
    2-hexanone 1266.55
    octyl acetate 375.1
    limonene 363.69
    1,2-dimethoxyethane 2076.68
    ethyl orthosilicate 306.58
    tributyl phosphate 296.0
    diacetone alcohol 1224.46
    N,N-dimethylaniline 536.26
    acrylonitrile 1667.62
    aniline 1087.25
    1,3-propanediol 1174.43
    bromobenzene 1107.03
    dibromomethane 2535.67
    1,1,2,2-tetrachloroethane 3270.12
    2-methyl-cyclohexyl acetate 541.83
    tetrabutyl urea 369.77
    diisobutyl methanol 297.24
    2-phenylethanol 592.01
    styrene 610.34
    dioctyl adipate 462.83
    dimethyl sulfate 680.35
    ethyl butyrate 787.52
    methyl lactate 510.11
    butyl lactate 530.23
    diethyl carbonate 471.38
    propanediol butyl ether 779.31
    triethyl orthoformate 468.43
    p-tert-butyltoluene 204.47
    methyl 4-tert-butylbenzoate 518.44
    morpholine 3482.86
    tert-butylamine 1708.99
    n-dodecanol 166.02
    dimethoxymethane 1390.67
    ethylene carbonate 795.28
    cyrene 608.57
    2-ethoxyethyl acetate 948.47
    2-ethylhexyl acetate 816.68
    1,2,4-trichlorobenzene 971.93
    4-methylpyridine 2082.11
    dibutyl ether 679.5
    2,6-dimethyl-4-heptanol 297.24
    DEF 1928.16
    dimethyl isosorbide 1083.61
    tetrachloroethylene 1978.24
    eugenol 567.63
    triacetin 773.34
    span 80 662.07
    1,4-butanediol 468.43
    1,1-dichloroethane 2572.25
    2-methyl-1-pentanol 1075.83
    methyl formate 796.19
    2-methyl-1-butanol 1308.96
    n-decane 51.03
    butyronitrile 1630.58
    3,7-dimethyl-1-octanol 428.27
    1-chlorooctane 284.1
    1-chlorotetradecane 99.3
    n-nonane 53.53
    undecane 36.21
    tert-butylcyclohexane 152.47
    cyclooctane 83.28
    cyclopentanol 1414.22
    tetrahydropyran 3094.57
    tert-amyl methyl ether 1321.38
    2,5,8-trioxanonane 1165.77
    1-hexene 1119.06
    2-isopropoxyethanol 1031.36
    2,2,2-trifluoroethanol 419.27
    methyl butyrate 1330.13

    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

Botanical

Name CAS Botanical Proportion
Baga fruit Annona glabra L., fam. Annonaceae 0.01%