2-Octen-1-yl acetate, (2E)-

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  • Identifiers

    CAS number
    3913-80-2

    Molecular formula
    C10H18O2

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

  • Odor profile

    Fragrance
    Fruity 86.92%
    Green 82.79%
    Fatty 75.11%
    Waxy 73.17%
    Pear 62.57%
    Melon 61.33%
    Fresh 53.31%
    Tropical 50.1%
    Citrus 48.99%
    Apple 45.06%

     

    Flavor
    Green 70.93%
    Waxy 62.34%
    Fresh 50.13%
    Rose 43.7%
    Fruity 42.09%
    Sweet 40.76%
    Tropical 38.14%
    Pear 37.13%
    Floral 36.45%
    Apple 34.45%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    8.45 (weak base)

    Molecular weight
    170.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    214°C

    Flash point

    • 90.57 ˚C est.

    Solubility expt.

    • Soluble in fats; Insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • trans-2-Octen-1-yl acetate
    • 3913-80-2
    • (E)-Oct-2-enyl acetate
    • E-2-Octenyl acetate
    • [(E)-oct-2-enyl] acetate
    • 2-Octen-1-ol, acetate, (E)-
    • 2E-Octenyl acetate
    • 2-Octenyl acetate, trans-
    • 2-Octenyl acetate, (E)-
    • 2-Octen-1-yl acetate
    • 2-Octen-1-yl acetate, trans-
    • 2371-13-3
    • 2-Octen-1-ol, acetate
    • EINECS 223-473-7
    • FEMA No. 3516
    • 9I792BSW7F
    • FEMA 3516
    • 2-Octen-1-yl acetate, (2E)-
    • (e)-2-octenyl acetate
    • EINECS 219-140-0
    • AI3-34407
    • TRANS-2-OCTENYL ACETATE
    • DTXSID70192380
    • 2-Octen-1-ol, 1-acetate
    • (e)-2-octen-1-yl acetate
    • 2-Octen-1-ol, acetate, (2E)-
    • OCTEN-1-YL ACETATE, TRANS-2-
    • 2-OCTEN-1-YL ACETATE, (E)-
    • TRANS-2-OCTEN-1-YL ACETATE [FHFI]
    • 2-OCTEN-1-OL, 1-ACETATE, (2E)-
    • ((E)-oct-2-enyl) acetate
    • (2E)-2-Octen-1-yl acetate
    • 2-octenyl acetate (High Trans)
    • DTXSID40862907
    • UNII-9I792BSW7F
    • (E)-Oct-2-en-1-ylacetate
    • SCHEMBL1302237
    • (E)-Oct-2-en-1-yl acetate
    • DTXCID10811609
    • DTXCID80114871
    • CHEBI:180238
    • LMFA07010188
    • AKOS006274557
    • DB-247254
    • NS00022137
    • Q27272586

  • Applications

    2-Octen-1-yl acetate, (2E)-, CAS 3913-80-2 is an unsaturated acetate primarily used as a fragrance ingredient and odorant in perfumery and personal care products. It is also used as a flavor/aroma precursor in certain food formulations within regulatory limits and as an intermediate in the synthesis of fragrance materials for industrial manufacturing. Additionally, 2-Octen-1-yl acetate can be employed in household products such as detergents and cleaners to impart or preserve fragrance, and in coatings and inks as a scent additive. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3766.42
    methanol 4042.83
    isopropanol 2564.44
    water 0.27
    ethyl acetate 1679.44
    n-propanol 2314.96
    acetone 3612.93
    n-butanol 1858.85
    acetonitrile 1699.56
    DMF 2775.37
    toluene 638.92
    isobutanol 1464.79
    1,4-dioxane 2539.8
    methyl acetate 1255.03
    THF 3485.33
    2-butanone 1917.86
    n-pentanol 1321.29
    sec-butanol 1722.07
    n-hexane 366.78
    ethylene glycol 427.1
    NMP 1625.36
    cyclohexane 316.54
    DMSO 4119.57
    n-butyl acetate 1089.54
    n-octanol 350.34
    chloroform 2760.19
    n-propyl acetate 922.74
    acetic acid 1854.63
    dichloromethane 2418.67
    cyclohexanone 2243.74
    propylene glycol 846.58
    isopropyl acetate 997.43
    DMAc 1666.77
    2-ethoxyethanol 1546.96
    isopentanol 1396.48
    n-heptane 94.5
    ethyl formate 710.07
    1,2-dichloroethane 1741.91
    n-hexanol 1082.42
    2-methoxyethanol 2616.4
    isobutyl acetate 555.75
    tetrachloromethane 370.12
    n-pentyl acetate 514.18
    transcutol 4669.11
    n-heptanol 304.97
    ethylbenzene 309.88
    MIBK 810.56
    2-propoxyethanol 1540.74
    tert-butanol 2659.93
    MTBE 1952.71
    2-butoxyethanol 616.99
    propionic acid 1225.52
    o-xylene 327.99
    formic acid 441.57
    diethyl ether 2149.27
    m-xylene 403.29
    p-xylene 355.79
    chlorobenzene 688.96
    dimethyl carbonate 287.92
    n-octane 30.74
    formamide 634.55
    cyclopentanone 2145.33
    2-pentanone 1725.25
    anisole 666.2
    cyclopentyl methyl ether 1722.06
    gamma-butyrolactone 1828.52
    1-methoxy-2-propanol 1868.18
    pyridine 1832.52
    3-pentanone 999.71
    furfural 1242.01
    n-dodecane 22.21
    diethylene glycol 978.64
    diisopropyl ether 433.24
    tert-amyl alcohol 1839.94
    acetylacetone 1467.45
    n-hexadecane 25.74
    acetophenone 541.44
    methyl propionate 1072.26
    isopentyl acetate 912.08
    trichloroethylene 2608.0
    n-nonanol 290.86
    cyclohexanol 1539.77
    benzyl alcohol 616.92
    2-ethylhexanol 561.94
    isooctanol 252.51
    dipropyl ether 689.67
    1,2-dichlorobenzene 547.82
    ethyl lactate 351.58
    propylene carbonate 846.3
    n-methylformamide 1147.48
    2-pentanol 1176.28
    n-pentane 200.34
    1-propoxy-2-propanol 1111.24
    1-methoxy-2-propyl acetate 918.79
    2-(2-methoxypropoxy) propanol 696.1
    mesitylene 240.33
    ε-caprolactone 1482.32
    p-cymene 156.74
    epichlorohydrin 2261.86
    1,1,1-trichloroethane 1476.5
    2-aminoethanol 1119.76
    morpholine-4-carbaldehyde 1565.58
    sulfolane 2282.43
    2,2,4-trimethylpentane 84.88
    2-methyltetrahydrofuran 2728.4
    n-hexyl acetate 752.31
    isooctane 66.85
    2-(2-butoxyethoxy)ethanol 1045.33
    sec-butyl acetate 601.87
    tert-butyl acetate 1045.56
    decalin 140.42
    glycerin 798.25
    diglyme 1633.8
    acrylic acid 825.9
    isopropyl myristate 248.09
    n-butyric acid 1765.99
    acetyl acetate 738.69
    di(2-ethylhexyl) phthalate 240.01
    ethyl propionate 734.77
    nitromethane 2214.53
    1,2-diethoxyethane 1383.48
    benzonitrile 691.36
    trioctyl phosphate 162.37
    1-bromopropane 1350.17
    gamma-valerolactone 2180.41
    n-decanol 205.87
    triethyl phosphate 239.37
    4-methyl-2-pentanol 521.37
    propionitrile 1184.32
    vinylene carbonate 693.51
    1,1,2-trichlorotrifluoroethane 1614.03
    DMS 525.28
    cumene 196.97
    2-octanol 228.86
    2-hexanone 1103.17
    octyl acetate 311.64
    limonene 307.06
    1,2-dimethoxyethane 2104.41
    ethyl orthosilicate 250.8
    tributyl phosphate 245.09
    diacetone alcohol 1112.68
    N,N-dimethylaniline 412.84
    acrylonitrile 1206.97
    aniline 977.22
    1,3-propanediol 1381.74
    bromobenzene 754.14
    dibromomethane 1844.88
    1,1,2,2-tetrachloroethane 2411.91
    2-methyl-cyclohexyl acetate 468.77
    tetrabutyl urea 312.12
    diisobutyl methanol 271.36
    2-phenylethanol 560.5
    styrene 462.11
    dioctyl adipate 399.82
    dimethyl sulfate 504.87
    ethyl butyrate 637.63
    methyl lactate 497.63
    butyl lactate 426.18
    diethyl carbonate 355.78
    propanediol butyl ether 752.46
    triethyl orthoformate 396.16
    p-tert-butyltoluene 160.83
    methyl 4-tert-butylbenzoate 421.59
    morpholine 3666.7
    tert-butylamine 1559.02
    n-dodecanol 149.82
    dimethoxymethane 1457.34
    ethylene carbonate 621.83
    cyrene 511.59
    2-ethoxyethyl acetate 734.39
    2-ethylhexyl acetate 658.64
    1,2,4-trichlorobenzene 656.42
    4-methylpyridine 1703.95
    dibutyl ether 623.84
    2,6-dimethyl-4-heptanol 271.36
    DEF 1555.06
    dimethyl isosorbide 954.64
    tetrachloroethylene 1429.21
    eugenol 446.35
    triacetin 666.73
    span 80 638.12
    1,4-butanediol 544.06
    1,1-dichloroethane 1866.9
    2-methyl-1-pentanol 1036.6
    methyl formate 627.47
    2-methyl-1-butanol 1300.31
    n-decane 42.14
    butyronitrile 1350.39
    3,7-dimethyl-1-octanol 385.52
    1-chlorooctane 226.95
    1-chlorotetradecane 78.03
    n-nonane 45.19
    undecane 29.2
    tert-butylcyclohexane 129.78
    cyclooctane 76.14
    cyclopentanol 1474.93
    tetrahydropyran 3160.62
    tert-amyl methyl ether 1161.97
    2,5,8-trioxanonane 1107.93
    1-hexene 1160.66
    2-isopropoxyethanol 1021.7
    2,2,2-trifluoroethanol 325.49
    methyl butyrate 1023.1

    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