Ethyl 2-hexenoate

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    1552-67-6

    Molecular formula
    C8H14O2

    SMILES
    CCC/C=C/C(=O)OCC

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fruity 97.44%
    Green 87.63%
    Apple 69.23%
    Pineapple 66.24%
    Tropical 64.64%
    Sweet 60.13%
    Pear 55.63%
    Banana 55.1%
    Fresh 51.68%
    Waxy 46.46%

    Scent© AI

  • Properties

    XLogP3-AA
    2.3

    Molecular weight
    142.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point

    • 167.00 to 174.00 °C. @ 760.00 mm Hg

    Flash point est.
    58.95 ˚C

    Solubility expt.

    • Practically insoluble to insoluble in water
    • Soluble (in ethanol)
    • Slightly soluble in water; soluble in fats
    • Soluble (in ethanol)

  • Synonyms

    • 27829-72-7
    • Ethyl trans-2-hexenoate
    • Ethyl hex-2-enoate
    • Ethyl 2-hexenoate
    • ethyl (E)-hex-2-enoate
    • 2-Hexenoic acid, ethyl ester, (2E)-
    • Ethyl (E)-2-hexenoate
    • 2-Hexenoic acid, ethyl ester
    • 1552-67-6
    • Ethyl 2E-hexenoate
    • (2E)-2-Hexenoic Acid Ethyl Ester
    • FEMA No. 3675
    • UNII-OL4EUZ6C13
    • OL4EUZ6C13
    • 2-Hexenoic acid, ethyl ester, (E)-
    • EINECS 216-296-1
    • EINECS 248-681-5
    • ethyl (2E)-hex-2-enoate
    • AI3-33376
    • (E)-ETHYL 2-HEXENOATE
    • Ethyl ester of 2-hexenoic acid
    • CHEBI:87514
    • DTXSID30885403
    • trans-2-Hexenoic Acid Ethyl Ester
    • FEMA NO. 4613, E-
    • ETHYL TRANS-2-HEXENOATE [FHFI]
    • Ethyl (E)hex-2-enoate
    • DTXSID80862688
    • MFCD00036541
    • Ethyl 2-hexenoic acid
    • Ethyl E-hex-2-enoate
    • Ethyl 2E-hexenoic acid
    • Ethyl(E)-hex-2-enoate
    • (E)-ethyl hex-2-enoate
    • SCHEMBL755909
    • Ethyl (2E)-hex-2-enoic acid
    • DTXCID20811418
    • DTXCID60909186
    • CHEBI:195732
    • (E)-Hex-2-enoic acid ethyl ester
    • ALBB-032755
    • CBA82972
    • LMFA07010852
    • AKOS015903428
    • CS-W018283
    • HY-W017567
    • LS-13479
    • DB-003641
    • E0787
    • D90567
    • EN300-7399033
    • (R)-tert-butyl 3-((S)-4-benzyl-2-oxooxazolidine-3- carbonyl)hexanoate
    • 216-296-1
    • 248-681-5

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3166.24
    methanol 3547.85
    isopropanol 2185.13
    water 0.84
    ethyl acetate 1788.6
    n-propanol 2140.04
    acetone 3186.62
    n-butanol 2023.01
    acetonitrile 2074.54
    DMF 4455.73
    toluene 770.88
    isobutanol 1539.46
    1,4-dioxane 2469.99
    methyl acetate 1478.61
    THF 3508.43
    2-butanone 1830.29
    n-pentanol 1264.68
    sec-butanol 1787.12
    n-hexane 397.66
    ethylene glycol 486.5
    NMP 3317.89
    cyclohexane 655.21
    DMSO 3812.0
    n-butyl acetate 1508.11
    n-octanol 599.77
    chloroform 3875.84
    n-propyl acetate 907.21
    acetic acid 3110.33
    dichloromethane 3912.5
    cyclohexanone 2910.1
    propylene glycol 668.9
    isopropyl acetate 998.71
    DMAc 2169.52
    2-ethoxyethanol 1070.27
    isopentanol 1473.25
    n-heptane 175.04
    ethyl formate 1113.22
    1,2-dichloroethane 2583.6
    n-hexanol 1418.87
    2-methoxyethanol 2272.22
    isobutyl acetate 516.09
    tetrachloromethane 549.98
    n-pentyl acetate 748.15
    transcutol 3319.9
    n-heptanol 448.01
    ethylbenzene 407.71
    MIBK 857.51
    2-propoxyethanol 1540.1
    tert-butanol 2394.92
    MTBE 1562.42
    2-butoxyethanol 695.58
    propionic acid 1648.89
    o-xylene 421.1
    formic acid 705.42
    diethyl ether 1813.41
    m-xylene 489.46
    p-xylene 516.27
    chlorobenzene 1258.52
    dimethyl carbonate 485.48
    n-octane 73.26
    formamide 949.53
    cyclopentanone 2876.15
    2-pentanone 1687.02
    anisole 791.84
    cyclopentyl methyl ether 1676.93
    gamma-butyrolactone 3076.02
    1-methoxy-2-propanol 1690.12
    pyridine 2502.57
    3-pentanone 1054.82
    furfural 2163.86
    n-dodecane 62.53
    diethylene glycol 1018.49
    diisopropyl ether 446.54
    tert-amyl alcohol 1793.26
    acetylacetone 1570.32
    n-hexadecane 72.13
    acetophenone 702.17
    methyl propionate 1244.02
    isopentyl acetate 1151.1
    trichloroethylene 4438.03
    n-nonanol 490.81
    cyclohexanol 1916.27
    benzyl alcohol 694.66
    2-ethylhexanol 698.7
    isooctanol 357.02
    dipropyl ether 743.21
    1,2-dichlorobenzene 974.59
    ethyl lactate 390.3
    propylene carbonate 1563.12
    n-methylformamide 1868.65
    2-pentanol 1342.3
    n-pentane 345.59
    1-propoxy-2-propanol 1155.82
    1-methoxy-2-propyl acetate 981.87
    2-(2-methoxypropoxy) propanol 737.46
    mesitylene 317.25
    ε-caprolactone 2138.59
    p-cymene 264.26
    epichlorohydrin 3050.01
    1,1,1-trichloroethane 2198.87
    2-aminoethanol 998.66
    morpholine-4-carbaldehyde 2192.09
    sulfolane 3646.35
    2,2,4-trimethylpentane 127.38
    2-methyltetrahydrofuran 2749.43
    n-hexyl acetate 1156.52
    isooctane 104.76
    2-(2-butoxyethoxy)ethanol 1029.12
    sec-butyl acetate 577.91
    tert-butyl acetate 1036.18
    decalin 210.03
    glycerin 735.55
    diglyme 1642.14
    acrylic acid 1440.74
    isopropyl myristate 395.61
    n-butyric acid 2417.01
    acetyl acetate 1013.17
    di(2-ethylhexyl) phthalate 371.97
    ethyl propionate 791.31
    nitromethane 3248.32
    1,2-diethoxyethane 1225.23
    benzonitrile 1073.35
    trioctyl phosphate 279.49
    1-bromopropane 1755.61
    gamma-valerolactone 2991.95
    n-decanol 351.03
    triethyl phosphate 325.96
    4-methyl-2-pentanol 584.19
    propionitrile 1571.72
    vinylene carbonate 1436.8
    1,1,2-trichlorotrifluoroethane 1896.94
    DMS 709.58
    cumene 260.23
    2-octanol 374.47
    2-hexanone 1025.46
    octyl acetate 535.12
    limonene 495.78
    1,2-dimethoxyethane 1977.6
    ethyl orthosilicate 315.26
    tributyl phosphate 371.92
    diacetone alcohol 1082.61
    N,N-dimethylaniline 530.24
    acrylonitrile 1828.44
    aniline 1084.0
    1,3-propanediol 1360.82
    bromobenzene 1363.53
    dibromomethane 2768.95
    1,1,2,2-tetrachloroethane 3371.34
    2-methyl-cyclohexyl acetate 570.41
    tetrabutyl urea 484.24
    diisobutyl methanol 357.83
    2-phenylethanol 714.44
    styrene 619.56
    dioctyl adipate 560.53
    dimethyl sulfate 774.86
    ethyl butyrate 751.03
    methyl lactate 612.59
    butyl lactate 553.74
    diethyl carbonate 502.94
    propanediol butyl ether 810.84
    triethyl orthoformate 486.85
    p-tert-butyltoluene 258.42
    methyl 4-tert-butylbenzoate 591.08
    morpholine 3363.31
    tert-butylamine 1522.16
    n-dodecanol 264.9
    dimethoxymethane 1674.78
    ethylene carbonate 1179.27
    cyrene 583.99
    2-ethoxyethyl acetate 858.53
    2-ethylhexyl acetate 828.32
    1,2,4-trichlorobenzene 1075.35
    4-methylpyridine 2357.65
    dibutyl ether 754.32
    2,6-dimethyl-4-heptanol 357.83
    DEF 2068.99
    dimethyl isosorbide 1110.62
    tetrachloroethylene 2090.14
    eugenol 614.92
    triacetin 813.18
    span 80 795.89
    1,4-butanediol 524.18
    1,1-dichloroethane 2738.72
    2-methyl-1-pentanol 955.66
    methyl formate 1243.89
    2-methyl-1-butanol 1405.6
    n-decane 106.29
    butyronitrile 2070.8
    3,7-dimethyl-1-octanol 553.32
    1-chlorooctane 424.04
    1-chlorotetradecane 161.61
    n-nonane 110.79
    undecane 78.39
    tert-butylcyclohexane 179.13
    cyclooctane 149.01
    cyclopentanol 1891.69
    tetrahydropyran 3100.86
    tert-amyl methyl ether 1050.07
    2,5,8-trioxanonane 1154.34
    1-hexene 1120.43
    2-isopropoxyethanol 731.93
    2,2,2-trifluoroethanol 612.45
    methyl butyrate 1179.07

    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
Michelia balansae flower headspace (China) Michelia balansae (A. DC.) Dandy, fam. Magnoliaceae 0.1%