Methyl oct-2-enoate

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  • Identifiers

    CAS number
    7367-81-9

    Molecular formula
    C9H16O2

    SMILES
    CCCCC/C=C/C(=O)OC

    Retention indicies (RI)

    • Carbowax: 1473.0

  • Odor profile

    Fruity 93.46%
    Green 90.75%
    Fatty 77.08%
    Waxy 73.28%
    Pear 63.49%
    Sweet 62.24%
    Melon 59.61%
    Fresh 55.62%
    Tropical 52.68%
    Vegetable 49.23%

    Scent© AI

  • Properties

    XLogP3-AA
    3.0

    Molecular weight
    156.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point

    • 70.00 °C. @ 4.00 mm Hg

    Flash point est.
    71.75 ˚C

    Solubility expt.

    • Slightly soluble in water; soluble in fats
    • Soluble (in ethanol)

  • Synonyms

    • Methyl trans-2-octenoate
    • 7367-81-9
    • Methyl oct-2-enoate
    • Methyl (E)-oct-2-enoate
    • METHYL 2-OCTENOATE
    • 2396-85-2
    • (E)-2-Methyl oct-2-enoate
    • 2-Octenoic acid, methyl ester, (2E)-
    • 2-Octenoic acid, methyl ester
    • Methyl (E)-2-octenoate
    • Methyl 2-octenoate, (E)-
    • 2-Octenoic acid methyl ester
    • 2-Octenoic acid, methyl ester, (E)-
    • FEMA No. 3712
    • trans-2-Octenoic Acid Methyl Ester
    • 9EN9V40J78
    • Methyl trans-2-octenoate, 90+%, remainder mainly cis-isomer
    • MFCD00036620
    • 2-Octenoic acid, methyl ester, (Z)-
    • (E)-methyl 2-octenoate
    • Methyloctenoat
    • UNII-9EN9V40J78
    • EINECS 219-259-8
    • EINECS 230-912-6
    • 2-Octenoic acid, methylester, (2E)-
    • trans-Methyl-2-octenoate
    • (E)-methyl oct-2-enoate
    • SCHEMBL1404267
    • CHEMBL4076957
    • DTXSID00223919
    • CHEBI:171779
    • METHYL 2-OCTENOATE, TRANS-
    • LMFA07010944
    • NSC617617
    • METHYL 2-OCTENOATE, (2E)-
    • AKOS015836245
    • HY-W039379
    • NSC-617617
    • METHYL TRANS-2-OCTENOATE [FHFI]
    • Methyl trans-2-octenoate, >=96%, FG
    • BS-49141
    • DB-255280
    • CS-0097187
    • M2014
    • NS00080271
    • D91565
    • Q27272448

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4348.34
    methanol 4996.87
    isopropanol 3075.91
    water 0.15
    ethyl acetate 3477.44
    n-propanol 2996.43
    acetone 5930.63
    n-butanol 2414.59
    acetonitrile 3032.15
    DMF 5167.14
    toluene 1023.61
    isobutanol 2063.37
    1,4-dioxane 3169.86
    methyl acetate 2444.44
    THF 4586.41
    2-butanone 3654.7
    n-pentanol 1668.49
    sec-butanol 2437.54
    n-hexane 338.19
    ethylene glycol 447.49
    NMP 3151.57
    cyclohexane 343.99
    DMSO 6289.19
    n-butyl acetate 2036.59
    n-octanol 421.95
    chloroform 4007.64
    n-propyl acetate 1711.32
    acetic acid 2640.67
    dichloromethane 4409.34
    cyclohexanone 3794.11
    propylene glycol 841.89
    isopropyl acetate 1709.82
    DMAc 2141.67
    2-ethoxyethanol 1814.12
    isopentanol 1938.88
    n-heptane 85.97
    ethyl formate 1429.9
    1,2-dichloroethane 3742.88
    n-hexanol 1483.19
    2-methoxyethanol 3544.9
    isobutyl acetate 834.65
    tetrachloromethane 571.91
    n-pentyl acetate 831.97
    transcutol 5906.12
    n-heptanol 434.02
    ethylbenzene 455.98
    MIBK 1311.88
    2-propoxyethanol 1948.69
    tert-butanol 3510.49
    MTBE 2989.77
    2-butoxyethanol 854.09
    propionic acid 1970.66
    o-xylene 501.57
    formic acid 632.17
    diethyl ether 3200.84
    m-xylene 656.15
    p-xylene 527.9
    chlorobenzene 1271.88
    dimethyl carbonate 571.48
    n-octane 33.65
    formamide 1180.98
    cyclopentanone 4099.97
    2-pentanone 3096.51
    anisole 1003.28
    cyclopentyl methyl ether 2638.82
    gamma-butyrolactone 3980.49
    1-methoxy-2-propanol 2640.05
    pyridine 2908.43
    3-pentanone 1775.91
    furfural 2364.83
    n-dodecane 24.65
    diethylene glycol 1239.69
    diisopropyl ether 652.08
    tert-amyl alcohol 2703.97
    acetylacetone 2354.45
    n-hexadecane 29.75
    acetophenone 828.2
    methyl propionate 2225.08
    isopentyl acetate 1522.7
    trichloroethylene 5666.37
    n-nonanol 355.38
    cyclohexanol 2030.82
    benzyl alcohol 863.24
    2-ethylhexanol 748.04
    isooctanol 362.55
    dipropyl ether 865.07
    1,2-dichlorobenzene 1054.02
    ethyl lactate 477.24
    propylene carbonate 1611.0
    n-methylformamide 2481.78
    2-pentanol 1677.59
    n-pentane 219.97
    1-propoxy-2-propanol 1470.31
    1-methoxy-2-propyl acetate 1494.2
    2-(2-methoxypropoxy) propanol 829.98
    mesitylene 370.85
    ε-caprolactone 2560.35
    p-cymene 229.05
    epichlorohydrin 4327.9
    1,1,1-trichloroethane 2752.66
    2-aminoethanol 1270.02
    morpholine-4-carbaldehyde 2374.95
    sulfolane 4290.99
    2,2,4-trimethylpentane 103.64
    2-methyltetrahydrofuran 4327.66
    n-hexyl acetate 1074.25
    isooctane 88.89
    2-(2-butoxyethoxy)ethanol 1304.17
    sec-butyl acetate 1041.24
    tert-butyl acetate 1664.07
    decalin 149.88
    glycerin 875.05
    diglyme 2167.62
    acrylic acid 1413.14
    isopropyl myristate 327.82
    n-butyric acid 2826.74
    acetyl acetate 1230.96
    di(2-ethylhexyl) phthalate 303.37
    ethyl propionate 1334.81
    nitromethane 4067.59
    1,2-diethoxyethane 1923.1
    benzonitrile 1169.49
    trioctyl phosphate 219.9
    1-bromopropane 2371.43
    gamma-valerolactone 3710.26
    n-decanol 248.47
    triethyl phosphate 313.63
    4-methyl-2-pentanol 724.69
    propionitrile 2100.76
    vinylene carbonate 1342.69
    1,1,2-trichlorotrifluoroethane 2601.17
    DMS 768.09
    cumene 275.15
    2-octanol 325.53
    2-hexanone 1753.21
    octyl acetate 423.39
    limonene 421.09
    1,2-dimethoxyethane 2724.55
    ethyl orthosilicate 324.26
    tributyl phosphate 322.58
    diacetone alcohol 1734.53
    N,N-dimethylaniline 551.05
    acrylonitrile 2489.83
    aniline 1449.25
    1,3-propanediol 1730.15
    bromobenzene 1408.56
    dibromomethane 3158.12
    1,1,2,2-tetrachloroethane 4407.06
    2-methyl-cyclohexyl acetate 627.67
    tetrabutyl urea 402.95
    diisobutyl methanol 372.52
    2-phenylethanol 796.2
    styrene 675.65
    dioctyl adipate 495.9
    dimethyl sulfate 920.77
    ethyl butyrate 1014.08
    methyl lactate 778.04
    butyl lactate 642.29
    diethyl carbonate 556.29
    propanediol butyl ether 954.75
    triethyl orthoformate 548.96
    p-tert-butyltoluene 230.01
    methyl 4-tert-butylbenzoate 552.36
    morpholine 5068.11
    tert-butylamine 2112.12
    n-dodecanol 180.42
    dimethoxymethane 2259.43
    ethylene carbonate 1085.59
    cyrene 668.61
    2-ethoxyethyl acetate 1211.29
    2-ethylhexyl acetate 1090.32
    1,2,4-trichlorobenzene 1214.92
    4-methylpyridine 2935.2
    dibutyl ether 747.25
    2,6-dimethyl-4-heptanol 372.52
    DEF 3033.71
    dimethyl isosorbide 1302.04
    tetrachloroethylene 2569.36
    eugenol 637.7
    triacetin 818.57
    span 80 777.95
    1,4-butanediol 624.42
    1,1-dichloroethane 3562.18
    2-methyl-1-pentanol 1391.2
    methyl formate 1403.71
    2-methyl-1-butanol 1885.29
    n-decane 45.21
    butyronitrile 2366.11
    3,7-dimethyl-1-octanol 494.83
    1-chlorooctane 298.33
    1-chlorotetradecane 100.55
    n-nonane 47.29
    undecane 32.25
    tert-butylcyclohexane 146.4
    cyclooctane 81.9
    cyclopentanol 2151.62
    tetrahydropyran 4607.55
    tert-amyl methyl ether 1741.05
    2,5,8-trioxanonane 1336.84
    1-hexene 1317.62
    2-isopropoxyethanol 1250.51
    2,2,2-trifluoroethanol 494.26
    methyl butyrate 1875.52

    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
Pineapple pulp Ananas comosus (L.) Merr., fam. Bromeliaceae 0.35%
Soursop, fruit Annona muricata L., fam. Annonaceae 0.9%
Baga fruit Annona glabra L., fam. Annonaceae 0.01%