2-Octen-1-ol, (2E)-

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  • Identifiers

    CAS number
    22104-78-5

    Molecular formula
    C8H16O

    SMILES
    CCCCC/C=C/CO

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Green 87.1%
    Fatty 82.42%
    Waxy 70.49%
    Fresh 66.66%
    Vegetable 58.7%
    Sweet 58.65%
    Citrus 58.04%
    Cucumber 56.96%
    Floral 55.6%
    Melon 55.4%

    Scent© AI

  • Properties

    XLogP3-AA
    2.5

    Molecular weight
    128.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    202°C

    Flash point est.
    85.68 ˚C

    Solubility expt.

    • Soluble in hexane, triacetin; Insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • trans-2-Octen-1-Ol
    • 18409-17-1
    • (E)-Oct-2-en-1-ol
    • 2-OCTEN-1-OL
    • (E)-2-Octen-1-ol
    • (2E)-oct-2-en-1-ol
    • 22104-78-5
    • 2-Octen-1-ol, (E)-
    • trans-2-Octenol
    • 2-Octen-1-ol, (2E)-
    • 2-Octenol
    • (e)-2-octenol
    • 2-Octenol-1
    • K54ST7V77U
    • Oct-2-en-1-ol
    • 2E-Octen-1-ol
    • (E)-oct-2-enol
    • trans-oct-2-en-1-ol
    • EINECS 242-288-2
    • MFCD00014057
    • (2E)-2-Octen-1-ol
    • AI3-36043
    • FEMA NO. 3887
    • 2-OCTEN-1-OL, TRANS-
    • CHEBI:142616
    • N-OCT-TRANS-2-EN-1-OL
    • (E)-2-OCTEN-1-OL [FHFI]
    • AI3-34385
    • trans-2-Octen-1-ol, 97%
    • (E)-2-octenyl alcohol
    • DTXSID10864832
    • 2-(E)-Octanol
    • Oct-trans-2-en-1-ol
    • UNII-K54ST7V77U
    • SCHEMBL294232
    • CHEMBL2228465
    • DTXCID70813306
    • DTXSID00885036
    • TAA40917
    • LMFA05000124
    • AKOS015902261
    • HY-W099724
    • LS-13503
    • CS-0152366
    • CS-0368442
    • NS00051711
    • O0247
    • EN300-805054
    • EN300-1590568
    • Q27281975

  • Applications

    2-Octen-1-ol, (2E)- (CAS 22104-78-5) is an unsaturated C8 primary alcohol with a C=C bond and a hydroxyl group, used as a fragrance ingredient imparting fresh green, slightly citrus, fatty and floral nuances to fine fragrances, soaps, detergents, personal care products and candles; as a low-dose flavoring adjuvant to reinforce green, peel/citrus and fruity notes in beverages, confectionery, baked goods and savory items; as a versatile synthetic intermediate via esterification, etherification, oxidation/epoxidation, hydroformylation or metathesis to access 2‑octenyl esters (e.g., acetate, butyrate) and other derivatives valued in flavor & fragrance, specialty surfactants and urethane‑acrylate/polymer precursors; in catalysis research for selective hydrogenation and E/Z isomerization, and as a reference standard for GC/GC‑MS and olfactometry when developing volatile profiling methods and conducting sensitivity/validation studies; it is also employed in the synthesis of semiochemicals/pheromone components (e.g., 2‑octenyl esters in insect lure blends) and in packaging/material interaction or stability tests owing to the reactivity of the double bond.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 21036.07
    methanol 18616.84
    isopropanol 19269.19
    water 0.68
    ethyl acetate 8234.53
    n-propanol 17574.73
    acetone 15512.84
    n-butanol 15989.18
    acetonitrile 6135.58
    DMF 7327.37
    toluene 1568.29
    isobutanol 11638.62
    1,4-dioxane 8676.12
    methyl acetate 5159.58
    THF 15312.24
    2-butanone 8348.19
    n-pentanol 7386.72
    sec-butanol 11959.72
    n-hexane 2331.69
    ethylene glycol 1774.62
    NMP 3139.3
    cyclohexane 2503.27
    DMSO 13836.91
    n-butyl acetate 6449.74
    n-octanol 1567.74
    chloroform 5476.54
    n-propyl acetate 4356.36
    acetic acid 6388.92
    dichloromethane 5310.0
    cyclohexanone 8228.66
    propylene glycol 3123.85
    isopropyl acetate 3794.52
    DMAc 2269.88
    2-ethoxyethanol 5227.59
    isopentanol 10164.66
    n-heptane 1473.61
    ethyl formate 3432.19
    1,2-dichloroethane 5083.66
    n-hexanol 8569.28
    2-methoxyethanol 11671.54
    isobutyl acetate 1924.71
    tetrachloromethane 1554.32
    n-pentyl acetate 1929.96
    transcutol 10076.21
    n-heptanol 2054.37
    ethylbenzene 651.94
    MIBK 3396.56
    2-propoxyethanol 7581.07
    tert-butanol 16061.63
    MTBE 8860.46
    2-butoxyethanol 2766.55
    propionic acid 5849.23
    o-xylene 675.58
    formic acid 1270.34
    diethyl ether 10679.4
    m-xylene 1030.59
    p-xylene 745.13
    chlorobenzene 1616.83
    dimethyl carbonate 794.72
    n-octane 305.0
    formamide 2149.27
    cyclopentanone 8361.1
    2-pentanone 8911.82
    anisole 1253.07
    cyclopentyl methyl ether 7608.9
    gamma-butyrolactone 6981.59
    1-methoxy-2-propanol 8665.35
    pyridine 5172.62
    3-pentanone 3980.32
    furfural 3189.55
    n-dodecane 122.67
    diethylene glycol 3368.25
    diisopropyl ether 2450.71
    tert-amyl alcohol 8614.79
    acetylacetone 4209.43
    n-hexadecane 135.12
    acetophenone 889.75
    methyl propionate 4556.16
    isopentyl acetate 3941.3
    trichloroethylene 6397.15
    n-nonanol 1188.55
    cyclohexanol 8466.67
    benzyl alcohol 1285.98
    2-ethylhexanol 3609.39
    isooctanol 1457.22
    dipropyl ether 6228.98
    1,2-dichlorobenzene 1028.96
    ethyl lactate 880.89
    propylene carbonate 2637.47
    n-methylformamide 5439.25
    2-pentanol 9903.02
    n-pentane 2139.89
    1-propoxy-2-propanol 5960.19
    1-methoxy-2-propyl acetate 2867.92
    2-(2-methoxypropoxy) propanol 1049.44
    mesitylene 583.72
    ε-caprolactone 5118.07
    p-cymene 549.36
    epichlorohydrin 7491.95
    1,1,1-trichloroethane 4284.25
    2-aminoethanol 5422.28
    morpholine-4-carbaldehyde 3526.59
    sulfolane 5827.96
    2,2,4-trimethylpentane 508.32
    2-methyltetrahydrofuran 12682.85
    n-hexyl acetate 2181.55
    isooctane 525.81
    2-(2-butoxyethoxy)ethanol 2155.42
    sec-butyl acetate 2099.04
    tert-butyl acetate 3196.77
    decalin 481.5
    glycerin 2224.39
    diglyme 4290.58
    acrylic acid 2987.22
    isopropyl myristate 581.94
    n-butyric acid 10675.39
    acetyl acetate 1885.88
    di(2-ethylhexyl) phthalate 370.07
    ethyl propionate 2782.24
    nitromethane 6717.2
    1,2-diethoxyethane 5094.68
    benzonitrile 1583.11
    trioctyl phosphate 379.12
    1-bromopropane 5001.67
    gamma-valerolactone 7121.72
    n-decanol 799.97
    triethyl phosphate 568.84
    4-methyl-2-pentanol 3099.7
    propionitrile 6232.23
    vinylene carbonate 1888.15
    1,1,2-trichlorotrifluoroethane 3607.45
    DMS 798.06
    cumene 393.59
    2-octanol 1208.89
    2-hexanone 4622.97
    octyl acetate 756.12
    limonene 1356.16
    1,2-dimethoxyethane 7518.83
    ethyl orthosilicate 695.32
    tributyl phosphate 493.81
    diacetone alcohol 3543.42
    N,N-dimethylaniline 624.8
    acrylonitrile 4881.12
    aniline 2614.97
    1,3-propanediol 7746.67
    bromobenzene 1508.56
    dibromomethane 4720.49
    1,1,2,2-tetrachloroethane 5151.33
    2-methyl-cyclohexyl acetate 1263.72
    tetrabutyl urea 593.9
    diisobutyl methanol 1691.43
    2-phenylethanol 1597.4
    styrene 937.95
    dioctyl adipate 669.01
    dimethyl sulfate 910.89
    ethyl butyrate 3491.49
    methyl lactate 1302.72
    butyl lactate 1167.78
    diethyl carbonate 1255.4
    propanediol butyl ether 1893.86
    triethyl orthoformate 1623.72
    p-tert-butyltoluene 540.94
    methyl 4-tert-butylbenzoate 622.01
    morpholine 12769.77
    tert-butylamine 11335.09
    n-dodecanol 576.1
    dimethoxymethane 5483.95
    ethylene carbonate 2052.4
    cyrene 713.01
    2-ethoxyethyl acetate 1950.9
    2-ethylhexyl acetate 2737.23
    1,2,4-trichlorobenzene 1022.2
    4-methylpyridine 4395.76
    dibutyl ether 3112.1
    2,6-dimethyl-4-heptanol 1691.43
    DEF 5606.19
    dimethyl isosorbide 1515.76
    tetrachloroethylene 4024.54
    eugenol 661.13
    triacetin 926.76
    span 80 1295.98
    1,4-butanediol 2133.68
    1,1-dichloroethane 6194.76
    2-methyl-1-pentanol 4154.27
    methyl formate 2711.14
    2-methyl-1-butanol 8635.73
    n-decane 260.17
    butyronitrile 8672.84
    3,7-dimethyl-1-octanol 1512.26
    1-chlorooctane 925.89
    1-chlorotetradecane 260.67
    n-nonane 326.64
    undecane 167.95
    tert-butylcyclohexane 505.1
    cyclooctane 641.17
    cyclopentanol 8981.1
    tetrahydropyran 15323.08
    tert-amyl methyl ether 4198.35
    2,5,8-trioxanonane 1803.8
    1-hexene 5743.39
    2-isopropoxyethanol 3128.3
    2,2,2-trifluoroethanol 928.88
    methyl butyrate 4307.49

    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
Amomum koenigii Amomum koenigii J.F. Gmelin, fam. Zingiberaceae 2.0%
Amomum ptycholimatum Amomum ptycholimatum D. Fang, fam. Zingiberaceae 0.5%
Rhus coriaria Rhus coriaria L., fam. Anarcadiaceae 0.2%
Acacia confusa flower (China) Acacia confusa Merr., fam. Mimosaceae (Leguminosae) 0.1%
Oregano, greek (Chile) 84012-24-8 Origanum vulgare L., fam. Lamiaceae (Labiatae) 1.77%