1-Octen-3-yl acetate

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  • Identifiers

    CAS number
    2442-10-6

    Molecular formula
    C10H18O2

    SMILES
    CCCCCC(C=C)OC(=O)C

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 1113.75
    • Carbowax: 1379.0

  • Odor profile

    Green 78.67%
    Fruity 69.54%
    Mushroom 56.54%
    Earthy 56.27%
    Herbal 47.58%
    Fresh 43.74%
    Oily 40.97%
    Floral 40.35%
    Metallic 39.86%
    Fatty 38.52%

    Scent© AI

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    8.32 (weak base)

    Molecular weight
    170.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point

    • 189.00 to 190.00 °C. @ 760.00 mm Hg

    Flash point est.
    73.1 ˚C

    Solubility expt.

    • Insoluble in water, propylene glycol; soluble in most fixed oils
    • Soluble (in ethanol)

  • Synonyms

    • 1-Octen-3-yl acetate
    • Oct-1-en-3-yl acetate
    • 2442-10-6
    • 1-OCTEN-3-OL, ACETATE
    • 1-Pentylallyl acetate
    • Octenyl acetate
    • 3-Acetoxy-1-octene
    • 3-Acetoxyoctene
    • Amyl vinyl carbinol acetate
    • Amyl crotonyl acetate
    • Amyl vinyl carbinyl acetate
    • Pentyl crotonyl acetate
    • 1-Octen-3-ol, 3-acetate
    • 3-Acetoxy octene
    • Pentyl vinyl carbinol acetate
    • 1-Octenyl-3-acetate
    • FEMA No. 3582
    • 2242-10-6
    • Octen-3-yl acetate
    • 2PZ32LCA02
    • acetic acid oct-1-en-3-yl ester
    • 1-Octen-3-yl-acetate
    • EINECS 219-474-7
    • MFCD00036568
    • BRN 1722392
    • UNII-2PZ32LCA02
    • AI3-34394
    • 1-OCTENE-3-OL ACETATE
    • DTXSID9051903
    • 1-OCTEN-3-YL ACETATE [FCC]
    • 1-OCTEN-3-YL ACETATE [FHFI]
    • 4-02-00-00192 (Beilstein Handbook Reference)
    • 4,10:5,9-Dicyclo-9,10-secoandrost-1-en-3-one,17-(acetyloxy)-, (4a,5R,10a,17b)- (9CI)
    • 1-Octen-3-ylacetate
    • oct-1-en-3-yl ethanoate
    • 1-Octen-3-yl acetic acid
    • Oct-1-en-3-yl acetic acid
    • SCHEMBL111270
    • DTXCID4030465
    • CHEBI:180237
    • AKOS015843186
    • BS-16234
    • SY015801
    • DB-312271
    • CS-0152332
    • NS00011980
    • O0559
    • 1-Octen-3-yl acetate, >=97%, FCC, FG
    • D71009
    • A817295
    • Q15927659

  • Applications

    1-Octen-3-yl acetate (CAS 2442-10-6) is a flavor and fragrance ester with mushroomy, earthy, green, slightly fruity facets; widely used to build or enhance mushroom and umami notes in soups, broths, sauces, seasonings, plant-based meat analogs, savory snacks, canned mushroom products, and selected dairy; in beverages at trace levels for a fresh green lift; in perfumery and home/cleaning products (candles, air care, fragranced detergents) to add damp-green nuances and round out chypre, fougère, woody, and floral themes; in R&D as a microencapsulation substrate and slow-release pro-aroma that can hydrolyze to 1‑octen‑3‑ol, and as an analytical reference/co-elution standard for GC–MS in mushroom-aroma studies and flavor/fragrance QC; also used for stability testing, matrix compatibility, and formulation optimization, with storage under tight closure and protection from light/oxygen to minimize oxidation and hydrolysis.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2344.09
    methanol 2725.78
    isopropanol 2001.39
    water 0.29
    ethyl acetate 1508.49
    n-propanol 1854.37
    acetone 2513.72
    n-butanol 1779.71
    acetonitrile 1190.27
    DMF 2596.69
    toluene 759.04
    isobutanol 1514.66
    1,4-dioxane 2065.59
    methyl acetate 1190.27
    THF 3267.92
    2-butanone 1773.86
    n-pentanol 1303.91
    sec-butanol 1838.53
    n-hexane 608.15
    ethylene glycol 269.76
    NMP 2060.55
    cyclohexane 521.36
    DMSO 2465.11
    n-butyl acetate 1421.08
    n-octanol 537.83
    chloroform 2721.46
    n-propyl acetate 866.35
    acetic acid 1309.96
    dichloromethane 2236.58
    cyclohexanone 2551.4
    propylene glycol 516.18
    isopropyl acetate 1017.6
    DMAc 1865.72
    2-ethoxyethanol 1035.88
    isopentanol 1636.81
    n-heptane 171.36
    ethyl formate 739.81
    1,2-dichloroethane 1613.35
    n-hexanol 1607.31
    2-methoxyethanol 1739.14
    isobutyl acetate 618.31
    tetrachloromethane 426.89
    n-pentyl acetate 682.66
    transcutol 3303.91
    n-heptanol 447.22
    ethylbenzene 454.67
    MIBK 933.56
    2-propoxyethanol 1655.54
    tert-butanol 2366.43
    MTBE 2159.88
    2-butoxyethanol 666.8
    propionic acid 1083.41
    o-xylene 483.96
    formic acid 290.7
    diethyl ether 1994.03
    m-xylene 558.99
    p-xylene 553.77
    chlorobenzene 949.75
    dimethyl carbonate 319.86
    n-octane 69.0
    formamide 345.14
    cyclopentanone 2243.79
    2-pentanone 1608.72
    anisole 738.53
    cyclopentyl methyl ether 1802.08
    gamma-butyrolactone 2034.33
    1-methoxy-2-propanol 1522.62
    pyridine 1545.92
    3-pentanone 1040.16
    furfural 1374.97
    n-dodecane 52.95
    diethylene glycol 851.78
    diisopropyl ether 561.81
    tert-amyl alcohol 2035.85
    acetylacetone 1274.42
    n-hexadecane 61.48
    acetophenone 629.98
    methyl propionate 988.01
    isopentyl acetate 1253.76
    trichloroethylene 2411.61
    n-nonanol 448.9
    cyclohexanol 1779.63
    benzyl alcohol 640.69
    2-ethylhexanol 825.66
    isooctanol 382.18
    dipropyl ether 826.1
    1,2-dichlorobenzene 737.79
    ethyl lactate 323.83
    propylene carbonate 1083.92
    n-methylformamide 906.39
    2-pentanol 1367.94
    n-pentane 346.46
    1-propoxy-2-propanol 1284.03
    1-methoxy-2-propyl acetate 1006.87
    2-(2-methoxypropoxy) propanol 735.47
    mesitylene 362.27
    ε-caprolactone 1810.98
    p-cymene 260.85
    epichlorohydrin 2094.26
    1,1,1-trichloroethane 1670.71
    2-aminoethanol 649.02
    morpholine-4-carbaldehyde 1630.05
    sulfolane 2356.87
    2,2,4-trimethylpentane 156.81
    2-methyltetrahydrofuran 2819.97
    n-hexyl acetate 1064.92
    isooctane 124.07
    2-(2-butoxyethoxy)ethanol 989.0
    sec-butyl acetate 643.97
    tert-butyl acetate 1101.91
    decalin 231.95
    glycerin 521.12
    diglyme 1517.31
    acrylic acid 752.05
    isopropyl myristate 375.17
    n-butyric acid 1767.55
    acetyl acetate 727.68
    di(2-ethylhexyl) phthalate 350.82
    ethyl propionate 732.86
    nitromethane 1554.56
    1,2-diethoxyethane 1274.01
    benzonitrile 837.75
    trioctyl phosphate 255.66
    1-bromopropane 1452.7
    gamma-valerolactone 2181.41
    n-decanol 326.07
    triethyl phosphate 293.38
    4-methyl-2-pentanol 673.48
    propionitrile 1164.09
    vinylene carbonate 875.8
    1,1,2-trichlorotrifluoroethane 1278.09
    DMS 611.63
    cumene 299.71
    2-octanol 367.58
    2-hexanone 1165.26
    octyl acetate 481.69
    limonene 503.04
    1,2-dimethoxyethane 1939.72
    ethyl orthosilicate 317.32
    tributyl phosphate 343.18
    diacetone alcohol 1056.8
    N,N-dimethylaniline 527.49
    acrylonitrile 1097.47
    aniline 866.44
    1,3-propanediol 936.08
    bromobenzene 1076.27
    dibromomethane 1808.79
    1,1,2,2-tetrachloroethane 2335.06
    2-methyl-cyclohexyl acetate 626.03
    tetrabutyl urea 438.82
    diisobutyl methanol 385.26
    2-phenylethanol 715.3
    styrene 574.5
    dioctyl adipate 519.9
    dimethyl sulfate 553.88
    ethyl butyrate 718.08
    methyl lactate 439.88
    butyl lactate 515.46
    diethyl carbonate 421.33
    propanediol butyl ether 735.36
    triethyl orthoformate 482.63
    p-tert-butyltoluene 266.09
    methyl 4-tert-butylbenzoate 555.3
    morpholine 2682.35
    tert-butylamine 1527.93
    n-dodecanol 246.83
    dimethoxymethane 1205.23
    ethylene carbonate 802.78
    cyrene 570.91
    2-ethoxyethyl acetate 809.78
    2-ethylhexyl acetate 911.79
    1,2,4-trichlorobenzene 853.24
    4-methylpyridine 1838.23
    dibutyl ether 843.28
    2,6-dimethyl-4-heptanol 385.26
    DEF 1590.01
    dimethyl isosorbide 1108.91
    tetrachloroethylene 1415.09
    eugenol 540.85
    triacetin 745.26
    span 80 740.63
    1,4-butanediol 427.22
    1,1-dichloroethane 1943.08
    2-methyl-1-pentanol 1204.36
    methyl formate 620.96
    2-methyl-1-butanol 1512.33
    n-decane 94.77
    butyronitrile 1516.12
    3,7-dimethyl-1-octanol 602.05
    1-chlorooctane 411.16
    1-chlorotetradecane 148.53
    n-nonane 102.41
    undecane 66.89
    tert-butylcyclohexane 222.13
    cyclooctane 142.93
    cyclopentanol 1655.13
    tetrahydropyran 2960.91
    tert-amyl methyl ether 1443.15
    2,5,8-trioxanonane 1048.78
    1-hexene 1520.33
    2-isopropoxyethanol 847.9
    2,2,2-trifluoroethanol 279.71
    methyl butyrate 1061.52

    Scent© AI

1 4

IFRA standard 51

Recommendation
Restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0.27 % Category 7A
Rinse-off products applied to the hair with some hand contact
 3.1 %
Category 2
Products applied to the axillae
 0.08 % Category 7B
Leave-on products applied to the hair with some hand contact
 3.1 %
Category 3
Products applied to the face/body using fingertips
 1.6 % Category 8
Products with significant anogenital exposure
 0.16 %
Category 4
Products related to fine fragrance
 1.5 % Category 9
Products with body and hand exposure, primarily rinse off
 2.9 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 0.38 % Category 10A
Household care products with mostly hand contact
 11 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 0.38 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 11 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0.38 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 5.8 %
Category 5D
Baby Creams, baby Oils and baby talc
 0.38 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 5.8 %
Category 6
Products with oral and lip exposure
 0.88 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction

Botanical

Name CAS Botanical Proportion
Bay, West Indian 2 8015-73-4 Pimenta racemosa var. racemosa (P. Miller) J.W. Moore, fam. Myrtaceae 0.05%
Dragonhead Dracocephalum moldavica L., fam. Lamiaceae (Labiatae) 0.1%
Mentha aquatica var. hypeurica (Italy) 1 Mentha aquatica (L.) var. hypeuria Briq., fam. Lamiaceae (Labiatae) 0.22%
Mentha longifolia (France) Chemotype 1 90063-99-3 Mentha longifolia (L.) Hudson, fam. Lamiaceae (Labiatae) 0.1%
Mentha longifolia (France) Chemotype 2 90063-99-3 Mentha longifolia (L.) Hudson, fam. Lamiaceae (Labiatae) 0.3%
Mentha rotundifolia (Japan) Mentha rotundifolia (L.) Hudson, fam. Lamiaceae (Labiatae) 0.1%
Mentha suaveolens (Chemotype 1) Mentha suaveolens Ehrh. (Chemotype 1), fam. Lamiaceae (Labiatae) 0.58%
Cornmint (Mentha arvensis) 68917-18-0 Mentha arvensis (L.) var. piperascens Malinv., fam. Lamiaceae (Labiatae) 0.05%
Spearmint, scotch (USA) 1 Mentha gracilis Sole, fam. Lamiaceae (Labiatae) 0.1%
Lavandin (France) (Abrialis) 1 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia Emeric ex Loiseleur), Lamiaceae 0.48%
Lavandin (France) (Super) 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia Emeric ex Loiseleur), Lamiaceae 0.49%
Lavandin (France) (Grosso) 1 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia Emeric ex Loiseleur), Lamiaceae 0.45%
Lavandin (USA) 1a (Dutch) 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia) (Dutch cultivar), fam.Lamiaceae 0.02%
Lavandin (USA) 1b (Grappenhall) 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia) (Grappenhall cultivar),Lamiacea 0.01%
Lavandin (USA) 1d (Hidcote Giant) 8022-15-9 Lavandula x hydriba Rev. (L. x intermedia) (Hidcote Giant cultivar)Lamiace 0.25%
Lavandin (USA) 1e (Provence) 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia) (Provence cultivar), Lamiaceae 0.15%
Lavandin (USA) 1f (Seal) 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia) (Seal cultivar), fam. Lamiaceae 0.01%
Lavandin (USA) 1c (Grosso) 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia) (Grosso cultivar),fam.Lamiaceae 0.25%
Lavender (USA) (var. Nana Alba) 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix) (Nana Alba cultivar) 3.0%
Lavender (USA) (var. Loddon pink) 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix) (Loddon pink cultivar) 0.25%
Lavender (USA) (var. Jean Davis) 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix) (Jean Davis cultivar) 0.35%
Lavender (USA) (var. Rosea) 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix) (Rosea cultivar) 0.35%
Lavender (USA) (var. Hidcote) 8000-28-0 Lavandula angustigolia Mill. (L. officinalis Chaix) (Hidcote cultivar) 0.8%
Lavender (USA) (var. Mitcham Grey) 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix) (Mitcham Grey cult.) 0.6%
Lavender (USA) (var. Munstead) 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix) (Munstead cultivar) 0.1%
Lavender (USA) (var. Compacta) 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix) (Compacta cultivar) 0.6%
Lavender (USA) (var. Graves) 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix) (Graves cultivar) 0.4%
Lavender (USA) (var. Irene Doyle) 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix) (Irene Doyle cultivar) 0.3%
Lavender (USA) (var. Twickel Purple) 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix) (Twickel Purple cult.) 1.6%
Thymus riatarum Thymus riatarum Humbert et Maire, fam. Lamiaceae (Labiatae) 0.1%
Lepechinia urbanii Lepechinia urbanii (Briq.) Epling, fam. Lamiaceae (Labiatae) 0.63%
Lavender (France) 6 8000-28-0 Lavandula angustifolia Mill., fam. Lamiaceae (Labiatae) 2.49%
Salvia triloba 2 (Greece) Salvia triloba L. (S. fruticosa Mill.), fam. Lamiaceae (Labiatae) 0.02%
Calamintha arkansana Calamintha arkansana (Nutt.) Shinners, fam. Lamiaceae (Labiatae) 0.06%
Lavandin (Italy) 1 (Grosso) 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia Emeric ex Loiseleur), Lamiaceae 0.6%
Spearmint, scotch (USA) 3 Mentha gracilis Sole, fam. Lamiaceae (Labiatae) 0.08%
Spearmint, scotch (USA) 2 Mentha gracilis Sole, fam. Lamiaceae (Labiatae) 0.07%
Lavandin (France) (Grosso) 2 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia Emeric ex Loiesleur), Lamiaceae 0.26%
Lavandin (France) (Abrialis) 2 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia Emeric ex Loiseleur), Lamiaceae 0.49%
Basil (Turkey) 2a 8015-73-4 Ocimum basilicum L., fam. Lamiaceae (Labiatae) 0.03%
Basil (Turkey) 2b 8015-73-4 Ocimum basilicum L., fam. Lamiaceae (Labiatae) 0.06%
Agastache rugosa leaf (Vietnam) Agastache rugosa (Fisch. et Mey) O. Kuntze, fam. Lamiaceae (Labiatae) 0.1%
Agastache rugosa flower (Vietnam) Agastache rugosa (Fisch. et Mey) O. Kuntze, fam. Lamiaceae (Labiatae) 0.05%
Satureja gilliesii Satureja gilliesii (Grah.) Briq., fam. Lamiaceae (Labiatae) 0.4%
Lavender (Italy) 1b 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix), fam. Lamiaceae 0.55%
Thymus funkii Thymus funkii Cosson, fam. Lamiaceae (Labiatae) 0.05%
Lavender (Lithuania) 8000-28-0 Lavandula angustifolia Mill., fam. Lamiaceae (Labiatae) 1.34%
Lavender (France) 7 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix), fam. Lamiaceae 0.9%
Lavender (Bulgaria) 1 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix), fam. Lamiaceae 1.0%
Rosemary (Japan) 8000-25-7 Rosmarinus officinalis L., fam. Lamiaceae (Labiatae) 0.01%