2-Octenal

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  • Identifiers

    CAS number
    2548-87-0

    Molecular formula
    C8H14O

    SMILES
    CCCCC/C=C/C=O

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 1063.2
    • Carbowax: 1425.14

  • Odor profile

    Green 92.73%
    Fatty 88.74%
    Fruity 78.68%
    Aldehydic 68.19%
    Waxy 68.09%
    Fresh 67.05%
    Vegetable 66.0%
    Citrus 62.45%
    Cucumber 58.81%
    Sweet 57.78%

    Scent© AI

  • Properties

    XLogP3-AA
    2.6

    Molecular weight
    126.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    197°C

    Flash point est.
    62.32 ˚C

    Solubility expt.

    • Slightly soluble in water; Soluble in most fixed oils
    • Soluble (in ethanol)

  • Synonyms

    • trans-2-Octenal
    • (E)-2-Octenal
    • (E)-Oct-2-enal
    • 2548-87-0
    • 2-OCTENAL
    • trans-2-Octen-1-al
    • (E)-2-Octen-1-al
    • 2-Octen-1-al
    • 2-Octenal, (E)-
    • 2-Octenal, (2E)-
    • 2363-89-5
    • 2-Octenel
    • oct-2-enal
    • trans-oct-2-enal
    • 2-trans-octenal
    • octene-1-oxide
    • trans-octen-2-al
    • (2E)-2-Octenal
    • FEMA No. 3215
    • CCRIS 3418
    • EINECS 219-115-4
    • EINECS 219-833-8
    • CHEBI:61748
    • AI3-36269
    • (2E)-oct-2-enal
    • OCTENAL
    • 2-OCTENAL [FHFI]
    • 55N91D7775
    • LVBXEMGDVWVTGY-VOTSOKGWSA-
    • DTXSID40858789
    • (E)-2-OCTEN-1-AL [FCC]
    • 25447-69-2
    • 2-(E)-octenal
    • oct-(e)-2-enal
    • Oct-2(E)-enal
    • (2Z)-OCT-2-ENAL
    • DTXSID0062349
    • FEMA 3215
    • UNII-2MU4QO235A
    • trans2Octen1al
    • UNII-55N91D7775
    • (E)Oct2enal
    • (2E)-octenal
    • MFCD00007011
    • (E)2Octen1al
    • 2Octenal, (E)
    • 2Octenal, (2E)
    • (2E)-2-Octenal #
    • SCHEMBL159708
    • 2MU4QO235A
    • CHEMBL448058
    • DTXCID1036913
    • DTXCID30210938
    • BCP18963
    • LMFA06000029
    • AKOS015915261
    • trans-2-Octenal, technical grade, 94%
    • AS-75664
    • FO157056
    • HY-113146
    • trans-2-Octenal, >=95%, stabilized, FG
    • CS-0062276
    • CS-0200283
    • NS00013087
    • O0176
    • C21138
    • D91827
    • trans-2-Octenal, analytical reference material
    • A1-01903
    • Q2448755
    • trans-2-Octenal stabilized with 0.50% alpha-tocopherol
    • (2E)-2-Octenal; 2-(E)-Octenal; trans-Oct-2-en-1-al
    • 219-833-8

  • Applications

    trans-2-Octenal, also known as E-2-Octenal, is an eight-carbon unsaturated aldehyde with a fruity, fatty, slightly green odor that is widely used in flavor and fragrance formulations to reproduce citrus, cucumber, roasted‐meat or buttery notes; in cosmetics and cleaning products it imparts a fresh natural nuance; in scientific research it serves as a reference standard for monitoring lipid oxidation in foods, as a semiochemical in insect pheromone studies, and as an intermediate for synthesizing pharmaceuticals and surface-active agents; moreover, its promising antibacterial and antifungal activity is being explored for the development of bio-based food-packaging materials.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4738.63
    methanol 5059.93
    isopropanol 3311.26
    water 0.18
    ethyl acetate 4238.69
    n-propanol 3550.27
    acetone 7433.93
    n-butanol 3277.57
    acetonitrile 2819.1
    DMF 4304.5
    toluene 1250.33
    isobutanol 2406.96
    1,4-dioxane 3646.41
    methyl acetate 2654.26
    THF 6568.87
    2-butanone 4565.03
    n-pentanol 1963.64
    sec-butanol 2488.52
    n-hexane 910.84
    ethylene glycol 527.76
    NMP 3242.06
    cyclohexane 820.19
    DMSO 7483.4
    n-butyl acetate 3302.4
    n-octanol 602.38
    chloroform 3958.65
    n-propyl acetate 2388.06
    acetic acid 2524.13
    dichloromethane 4744.45
    cyclohexanone 5089.93
    propylene glycol 854.23
    isopropyl acetate 2027.83
    DMAc 1722.03
    2-ethoxyethanol 1829.09
    isopentanol 2484.86
    n-heptane 374.12
    ethyl formate 1546.4
    1,2-dichloroethane 4201.2
    n-hexanol 2438.25
    2-methoxyethanol 3789.56
    isobutyl acetate 1148.87
    tetrachloromethane 877.37
    n-pentyl acetate 1156.95
    transcutol 7105.18
    n-heptanol 628.36
    ethylbenzene 580.67
    MIBK 1745.48
    2-propoxyethanol 2810.04
    tert-butanol 3484.71
    MTBE 3198.81
    2-butoxyethanol 1092.88
    propionic acid 2416.99
    o-xylene 595.91
    formic acid 547.05
    diethyl ether 3913.69
    m-xylene 850.79
    p-xylene 669.0
    chlorobenzene 1650.17
    dimethyl carbonate 607.22
    n-octane 103.9
    formamide 951.96
    cyclopentanone 5864.35
    2-pentanone 4207.48
    anisole 1073.16
    cyclopentyl methyl ether 3886.85
    gamma-butyrolactone 5078.49
    1-methoxy-2-propanol 2851.59
    pyridine 3491.64
    3-pentanone 2378.3
    furfural 2679.57
    n-dodecane 52.68
    diethylene glycol 1447.01
    diisopropyl ether 975.6
    tert-amyl alcohol 2455.3
    acetylacetone 2908.27
    n-hexadecane 61.79
    acetophenone 923.03
    methyl propionate 2724.23
    isopentyl acetate 2232.85
    trichloroethylene 6187.49
    n-nonanol 484.73
    cyclohexanol 2673.3
    benzyl alcohol 885.34
    2-ethylhexanol 1306.86
    isooctanol 504.17
    dipropyl ether 2021.87
    1,2-dichlorobenzene 1269.2
    ethyl lactate 548.46
    propylene carbonate 1964.05
    n-methylformamide 2500.25
    2-pentanol 2161.1
    n-pentane 543.62
    1-propoxy-2-propanol 2342.06
    1-methoxy-2-propyl acetate 1947.52
    2-(2-methoxypropoxy) propanol 863.68
    mesitylene 507.58
    ε-caprolactone 3295.83
    p-cymene 378.03
    epichlorohydrin 4903.97
    1,1,1-trichloroethane 3454.11
    2-aminoethanol 1358.57
    morpholine-4-carbaldehyde 2518.9
    sulfolane 5408.23
    2,2,4-trimethylpentane 183.75
    2-methyltetrahydrofuran 5896.74
    n-hexyl acetate 1476.53
    isooctane 178.62
    2-(2-butoxyethoxy)ethanol 1353.96
    sec-butyl acetate 1306.74
    tert-butyl acetate 1943.79
    decalin 295.53
    glycerin 860.31
    diglyme 2418.96
    acrylic acid 1577.07
    isopropyl myristate 429.67
    n-butyric acid 3617.32
    acetyl acetate 1355.91
    di(2-ethylhexyl) phthalate 332.15
    ethyl propionate 1710.32
    nitromethane 3998.63
    1,2-diethoxyethane 3007.04
    benzonitrile 1300.29
    trioctyl phosphate 258.11
    1-bromopropane 2999.81
    gamma-valerolactone 4629.56
    n-decanol 344.06
    triethyl phosphate 431.16
    4-methyl-2-pentanol 887.87
    propionitrile 2449.73
    vinylene carbonate 1564.38
    1,1,2-trichlorotrifluoroethane 2624.2
    DMS 905.73
    cumene 362.52
    2-octanol 442.06
    2-hexanone 2611.65
    octyl acetate 521.13
    limonene 797.89
    1,2-dimethoxyethane 3063.19
    ethyl orthosilicate 465.14
    tributyl phosphate 387.99
    diacetone alcohol 1964.77
    N,N-dimethylaniline 598.52
    acrylonitrile 2638.74
    aniline 1591.37
    1,3-propanediol 1956.06
    bromobenzene 1791.4
    dibromomethane 3584.72
    1,1,2,2-tetrachloroethane 4489.15
    2-methyl-cyclohexyl acetate 888.11
    tetrabutyl urea 480.19
    diisobutyl methanol 680.22
    2-phenylethanol 1023.88
    styrene 882.83
    dioctyl adipate 578.13
    dimethyl sulfate 894.94
    ethyl butyrate 1732.75
    methyl lactate 771.37
    butyl lactate 750.62
    diethyl carbonate 781.1
    propanediol butyl ether 973.1
    triethyl orthoformate 880.3
    p-tert-butyltoluene 370.21
    methyl 4-tert-butylbenzoate 575.25
    morpholine 5216.91
    tert-butylamine 2342.2
    n-dodecanol 253.59
    dimethoxymethane 2544.09
    ethylene carbonate 1349.59
    cyrene 626.43
    2-ethoxyethyl acetate 1449.0
    2-ethylhexyl acetate 1649.2
    1,2,4-trichlorobenzene 1369.71
    4-methylpyridine 3116.56
    dibutyl ether 1425.35
    2,6-dimethyl-4-heptanol 680.22
    DEF 3285.05
    dimethyl isosorbide 1439.86
    tetrachloroethylene 3043.42
    eugenol 621.77
    triacetin 891.21
    span 80 849.6
    1,4-butanediol 625.17
    1,1-dichloroethane 4157.17
    2-methyl-1-pentanol 1456.35
    methyl formate 1411.5
    2-methyl-1-butanol 2180.09
    n-decane 104.67
    butyronitrile 2951.41
    3,7-dimethyl-1-octanol 707.32
    1-chlorooctane 493.81
    1-chlorotetradecane 151.12
    n-nonane 119.91
    undecane 71.7
    tert-butylcyclohexane 298.47
    cyclooctane 246.63
    cyclopentanol 2882.14
    tetrahydropyran 6004.68
    tert-amyl methyl ether 1892.08
    2,5,8-trioxanonane 1376.37
    1-hexene 2366.07
    2-isopropoxyethanol 1307.3
    2,2,2-trifluoroethanol 498.29
    methyl butyrate 2371.86

    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
Daphne genkwa Daphne genkwa Sieb. et Zucc., fam. Thymelaeaceae 0.01%
Ginger (Japan) 2 8007-08-7 Zingiber officinale Roscoe, fam. Zingiberaceae 0.01%
Rhus coriaria Rhus coriaria L., fam. Anarcadiaceae 0.7%
Zizyphus jujuba fruit (Malaysia) Zizyphus jujuba Mill. var. inermis, fam. Rhamnaceae 0.01%
Ambarella fruit Spondias cytherea Sonnerat (Ambarella), fam. Anacardiaceae 0.06%
Narcissus tazetta (var. chinensis) 8023-75-4 Narcissus tazetta L., var. chinensis, fam. Amaryllidaceae 0.02%
Couroupita guianensis flower (Brazil) Couroupita guainensis Auble., fam. Lecythidaceae 0.2%
Coriander fruit 5 8008-52-4 Coriandrum sativum L., fam. Apiaceae (Umbelliferae) 0.01%
Patchouli (China) 3a root 8014-09-3 Pogostemon cablin Benth., fam. Lamiaceae (Labiatae) 0.02%
Patchouli (China) 3b rhizome 8014-09-3 Pogostemon cablin Benth., fam. Lamiaceae (Labiatae) 0.03%
Myrtle leaf (Turkey) 2 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.05%
Catharanthus roseus leaf Catharanthus roseus (L.) G. Don, fam. Apocynaceae 0.1%
Catharanthus roseus marcs Catharanthus roseus (L.) G. Don, fam. Apocynaceae 0.4%
Tangerine (USA-Florida) 3 8008-31-9 Citrus reticulata Blanco, cultivar Dansy, fam. Rutaceae 0.01%
Leea guineensis (Cameroon) 1a wood Leea guineensis G. Don, fam. Leeaceae 0.5%
Cassie absolute 1b headspace 8023-82-3 Acacia farnesiana (L.) Willd., fam. Mimosaceae (Leguminosae) 0.05%
Spinach, cooked Spinacia oleracea L., fam. Oleraceae 0.1%