Hex-3Z-enyl hex-3Z-enoate

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    61444-38-0

    Molecular formula
    C12H20O2

    SMILES
    CC/C=C\CCOC(=O)C/C=C\CC

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Green 94.75%
    Fruity 85.29%
    Tropical 73.29%
    Apple 68.34%
    Pear 61.16%
    Melon 58.19%
    Fresh 56.54%
    Waxy 55.21%
    Vegetable 49.99%
    Leafy 48.89%

    Scent© AI

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    7.86 (neutral)

    Molecular weight
    196.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point

    • 60.00 °C. @ 0.50 mm Hg

    Flash point est.
    113.9 ˚C

    Solubility expt.

    • insoluble in water, soluble in fixed oils

  • Synonyms

    • cis-3-Hexenyl cis-3-hexenoate
    • 61444-38-0
    • FEMA No. 3689
    • HEX-3Z-enyl HEX-3Z-enoate
    • (3Z)-hex-3-en-1-yl (3Z)-hex-3-enoate
    • KNS0IV43AT
    • (Z)-(Z)-Hex-3-en-1-yl hex-3-enoate
    • (Z)-Hex-3-enyl (Z)-hex-3-enoate
    • [(Z)-hex-3-enyl] (Z)-hex-3-enoate
    • 3-Hexenyl cis-3-hexenoate, cis-
    • 3-Hexenoic acid, 3-hexenyl ester, (Z,Z)-
    • EINECS 262-797-3
    • 3-Hexenyl (Z)-3-hexenoate, (Z)-
    • 3-Hexenoic acid, (3Z)-3-hexen-1-yl ester, (3Z)-
    • DTXSID40886441
    • EC 262-797-3
    • 3-HEXEN-1-YL-3-HEXENOATE,(Z,Z)-
    • CIS-3-HEXENYL CIS-3-HEXENOATE [FHFI]
    • UNII-KNS0IV43AT
    • cis-3-Hexenoic acid cis-3-hexen-1-yl ester
    • MFCD00036652
    • (Z)-3-hexen-1-yl (Z)-3-hexenoate
    • 3Z-Hexenyl 3Z-Hexenoate
    • SCHEMBL890952
    • FEMA 3689
    • CHEBI:169312
    • DTXCID401025770
    • (Z)-3-Hexenyl (Z)-3-hexenoate
    • LMFA07010805
    • AKOS027382345
    • 3-Hexenyl ester(Z,Z)-3-Hexenoic acid
    • AS-62013
    • cis-3-Hexenoic Acid cis-3-Hexenyl Ester
    • (Z)-hex-3-en-1-yl (Z)-hex-3-enoate
    • (3Z)-3-hexenyl ester(3Z)-3-Hexenoic acid
    • CS-0454165
    • H0677
    • cis-3-Hexenyl cis-3-hexenoate, >=95%, FG
    • WE 6:1(3Z)/6:1(3Z)
    • D90929
    • (3Z)-3-hexen-1-yl ester(3Z)-3-Hexenoic acid
    • WE(6:1(3Z)/6:1(3Z))
    • Q27282346

  • Applications

    cis-3-Hexenyl cis-3-hexenoate (CAS 61444-38-0) is a naturally occurring green-leaf ester with wide utility in flavor, fragrance and agro-ecological applications: it is blended into fruit flavor systems for candy, chewing gum, beverages and dairy to inject a crisp fresh nuance and extend top-note longevity; in fine fragrances and personal-care or household scents it lends a vivid “fresh-cut-leaf” character, synergizing with cis-3-hexenol and linalool; in post-harvest technology it is studied as a volatile signal that primes plant defenses and curbs mold growth; at trace levels it also acts as a semiochemical, attracting pollinators or luring soft-bodied pests into traps, thereby supporting environmentally benign pest-management programs.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1021.36
    methanol 1084.19
    isopropanol 687.3
    water 0.08
    ethyl acetate 1488.16
    n-propanol 697.81
    acetone 2161.32
    n-butanol 751.87
    acetonitrile 1058.46
    DMF 2287.74
    toluene 841.72
    isobutanol 581.39
    1,4-dioxane 1549.13
    methyl acetate 1020.05
    THF 2765.24
    2-butanone 1443.6
    n-pentanol 538.21
    sec-butanol 662.5
    n-hexane 298.19
    ethylene glycol 103.66
    NMP 2298.84
    cyclohexane 476.9
    DMSO 2742.65
    n-butyl acetate 1151.4
    n-octanol 246.55
    chloroform 3248.71
    n-propyl acetate 852.45
    acetic acid 934.06
    dichloromethane 3623.4
    cyclohexanone 2325.54
    propylene glycol 180.63
    isopropyl acetate 901.44
    DMAc 1746.58
    2-ethoxyethanol 625.64
    isopentanol 675.29
    n-heptane 118.97
    ethyl formate 570.94
    1,2-dichloroethane 2718.88
    n-hexanol 612.01
    2-methoxyethanol 1001.94
    isobutyl acetate 520.82
    tetrachloromethane 457.17
    n-pentyl acetate 597.91
    transcutol 2906.31
    n-heptanol 213.87
    ethylbenzene 400.15
    MIBK 761.98
    2-propoxyethanol 878.39
    tert-butanol 983.51
    MTBE 1217.63
    2-butoxyethanol 419.71
    propionic acid 632.97
    o-xylene 452.53
    formic acid 169.89
    diethyl ether 1493.06
    m-xylene 509.21
    p-xylene 493.07
    chlorobenzene 1080.5
    dimethyl carbonate 388.73
    n-octane 44.11
    formamide 316.51
    cyclopentanone 2416.16
    2-pentanone 1465.84
    anisole 686.74
    cyclopentyl methyl ether 1518.74
    gamma-butyrolactone 2223.59
    1-methoxy-2-propanol 850.92
    pyridine 1746.12
    3-pentanone 1116.96
    furfural 1417.18
    n-dodecane 33.55
    diethylene glycol 512.45
    diisopropyl ether 413.72
    tert-amyl alcohol 804.41
    acetylacetone 1455.84
    n-hexadecane 39.88
    acetophenone 672.85
    methyl propionate 1010.98
    isopentyl acetate 943.52
    trichloroethylene 3998.51
    n-nonanol 225.46
    cyclohexanol 964.81
    benzyl alcohol 468.08
    2-ethylhexanol 428.91
    isooctanol 199.24
    dipropyl ether 635.95
    1,2-dichlorobenzene 965.55
    ethyl lactate 282.91
    propylene carbonate 1078.13
    n-methylformamide 706.82
    2-pentanol 582.97
    n-pentane 201.46
    1-propoxy-2-propanol 692.17
    1-methoxy-2-propyl acetate 861.88
    2-(2-methoxypropoxy) propanol 540.99
    mesitylene 324.42
    ε-caprolactone 1590.05
    p-cymene 229.51
    epichlorohydrin 2435.31
    1,1,1-trichloroethane 2074.18
    2-aminoethanol 273.27
    morpholine-4-carbaldehyde 1454.01
    sulfolane 2779.75
    2,2,4-trimethylpentane 94.78
    2-methyltetrahydrofuran 2158.07
    n-hexyl acetate 814.82
    isooctane 71.8
    2-(2-butoxyethoxy)ethanol 710.42
    sec-butyl acetate 622.05
    tert-butyl acetate 959.82
    decalin 196.41
    glycerin 241.87
    diglyme 1364.31
    acrylic acid 502.57
    isopropyl myristate 291.42
    n-butyric acid 1131.7
    acetyl acetate 843.43
    di(2-ethylhexyl) phthalate 258.15
    ethyl propionate 813.26
    nitromethane 1715.32
    1,2-diethoxyethane 1194.86
    benzonitrile 713.81
    trioctyl phosphate 178.44
    1-bromopropane 1678.9
    gamma-valerolactone 2085.78
    n-decanol 163.11
    triethyl phosphate 317.78
    4-methyl-2-pentanol 323.0
    propionitrile 828.43
    vinylene carbonate 883.08
    1,1,2-trichlorotrifluoroethane 1331.05
    DMS 662.21
    cumene 252.74
    2-octanol 176.75
    2-hexanone 883.67
    octyl acetate 347.54
    limonene 419.34
    1,2-dimethoxyethane 1281.67
    ethyl orthosilicate 312.7
    tributyl phosphate 274.12
    diacetone alcohol 792.95
    N,N-dimethylaniline 490.97
    acrylonitrile 938.44
    aniline 749.42
    1,3-propanediol 454.73
    bromobenzene 1384.53
    dibromomethane 2524.02
    1,1,2,2-tetrachloroethane 3219.54
    2-methyl-cyclohexyl acetate 554.78
    tetrabutyl urea 358.94
    diisobutyl methanol 244.79
    2-phenylethanol 481.88
    styrene 569.0
    dioctyl adipate 454.1
    dimethyl sulfate 674.0
    ethyl butyrate 731.88
    methyl lactate 353.71
    butyl lactate 399.18
    diethyl carbonate 471.13
    propanediol butyl ether 411.44
    triethyl orthoformate 455.85
    p-tert-butyltoluene 220.63
    methyl 4-tert-butylbenzoate 489.07
    morpholine 2002.55
    tert-butylamine 696.35
    n-dodecanol 126.71
    dimethoxymethane 1109.07
    ethylene carbonate 770.07
    cyrene 462.12
    2-ethoxyethyl acetate 756.87
    2-ethylhexyl acetate 750.78
    1,2,4-trichlorobenzene 1067.67
    4-methylpyridine 1672.1
    dibutyl ether 626.02
    2,6-dimethyl-4-heptanol 244.79
    DEF 1537.82
    dimethyl isosorbide 968.48
    tetrachloroethylene 1840.2
    eugenol 450.32
    triacetin 690.69
    span 80 494.2
    1,4-butanediol 178.54
    1,1-dichloroethane 2265.33
    2-methyl-1-pentanol 518.26
    methyl formate 492.38
    2-methyl-1-butanol 629.51
    n-decane 58.53
    butyronitrile 985.21
    3,7-dimethyl-1-octanol 300.53
    1-chlorooctane 289.99
    1-chlorotetradecane 106.69
    n-nonane 59.09
    undecane 42.39
    tert-butylcyclohexane 151.69
    cyclooctane 123.13
    cyclopentanol 857.44
    tetrahydropyran 2350.14
    tert-amyl methyl ether 855.28
    2,5,8-trioxanonane 907.06
    1-hexene 810.44
    2-isopropoxyethanol 504.31
    2,2,2-trifluoroethanol 230.9
    methyl butyrate 1093.08

    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
Olive flower (headspace) Olea europaea L., fam. Oleaceae 0.1%
Cornmint (Mentha arvensis) Mongolia 68917-18-0 Mentha arvensis (L.) var. piperascens Malinv., fam. Lamiaceae (Labiatae) 0.66%