2-Undecenal

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  • Identifiers

    CAS number
    53448-07-0

    Molecular formula
    C11H20O

    SMILES
    CCCCCCCC/C=C/C=O

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

    Retention indicies (RI)

    • DB5: 1366.0
    • Carbowax: 1751.8

  • Odor profile

    Fatty 85.83%
    Green 82.96%
    Citrus 81.77%
    Waxy 80.63%
    Fruity 72.54%
    Aldehydic 72.48%
    Orange 66.52%
    Fresh 60.77%
    Floral 60.3%
    Cucumber 58.03%

    Scent© AI

  • Properties

    XLogP3-AA
    4.2

    Molecular weight
    168.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point

    • 115.00 °C. @ 10.00 mm Hg

    Flash point est.
    102.25 ˚C

    Solubility expt.

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

  • Synonyms

    • trans-2-Undecenal
    • 2-UNDECENAL
    • 53448-07-0
    • (E)-Undec-2-enal
    • 2463-77-6
    • (E)-2-undecenal
    • (2E)-2-Undecenal
    • Undecenal
    • 2-Undecenal, (2E)-
    • trans-2-Undecen-1-al
    • 2-Undecen-1-al
    • 1337-83-3
    • 2-Undecenal, (E)-
    • trans-undec-2-enal
    • (2E)-undec-2-enal
    • Undec-2-enal
    • FNP3S9MG30
    • Aldehyde iso C-11
    • UNII-F851M0LYFD
    • UNII-FNP3S9MG30
    • UNII-090E982ABR
    • FEMA No. 3423
    • FEMA 3423
    • 2-UNDECENAL (HIGH TRANS)
    • (2e)-undecenal
    • undecenal (2e-)
    • 2(E)-Undecenal
    • EINECS 215-656-5
    • EINECS 219-564-6
    • EINECS 258-559-3
    • 2-Undecenal, E-
    • 2-Undecenal, trans
    • Undec-2(E)-enal
    • AI3-36265
    • F851M0LYFD
    • CHEMBL451328
    • DTXSID20904470
    • CHEBI:132843
    • CHEBI:133173
    • 090E982ABR
    • trans-2-Undecenal, >=95%, FG
    • FEMA NO. 3423, E-
    • LMFA06000065
    • MFCD00014680
    • AKOS015901935
    • HY-W127505
    • FU176909
    • LS-14008
    • CS-0185733
    • NS00013318
    • U0046
    • A11393
    • Q27278090
    • 2-Undecenal (High trans) stabilized with alpha-tocopherol

  • Applications

    trans-2-Undecenal (CAS 53448-07-0) is an unsaturated long-chain aldehyde that occurs naturally in coriander, cilantro and citrus peels, imparting a characteristic green, fatty, slightly tangerine odor; it is widely employed by flavorists to boost orange-zest, buttery, seafood or smoked-meat nuances in candies, beverages, canned soups and dairy preparations, and by perfumers in fine fragrances, soaps and premium detergents to create a fresh “citrus-green” top note; beyond perfumery, trans-2-Undecenal is studied as a pheromonal precursor for stink bugs, an insect repellent, and a mild antimicrobial/antifungal agent, while its FEMA/GRAS status facilitates compliance with international safety regulations for flavor and fragrance innovators.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2653.4
    methanol 1937.28
    isopropanol 2700.26
    water 0.01
    ethyl acetate 3300.02
    n-propanol 2464.44
    acetone 4458.64
    n-butanol 2391.45
    acetonitrile 1682.38
    DMF 1908.62
    toluene 1171.19
    isobutanol 1741.39
    1,4-dioxane 2866.66
    methyl acetate 1681.28
    THF 5727.89
    2-butanone 3589.02
    n-pentanol 1712.07
    sec-butanol 2145.32
    n-hexane 1554.08
    ethylene glycol 124.44
    NMP 1393.32
    cyclohexane 1584.72
    DMSO 3502.61
    n-butyl acetate 2916.56
    n-octanol 502.02
    chloroform 3561.07
    n-propyl acetate 2252.43
    acetic acid 835.67
    dichloromethane 4353.11
    cyclohexanone 4030.25
    propylene glycol 348.71
    isopropyl acetate 1897.44
    DMAc 1017.6
    2-ethoxyethanol 1373.06
    isopentanol 2096.52
    n-heptane 634.38
    ethyl formate 965.94
    1,2-dichloroethane 3908.22
    n-hexanol 1947.42
    2-methoxyethanol 2191.65
    isobutyl acetate 1180.88
    tetrachloromethane 732.49
    n-pentyl acetate 1138.61
    transcutol 5025.9
    n-heptanol 564.48
    ethylbenzene 616.06
    MIBK 1695.8
    2-propoxyethanol 2136.37
    tert-butanol 2891.85
    MTBE 3321.33
    2-butoxyethanol 921.32
    propionic acid 995.12
    o-xylene 534.3
    formic acid 105.46
    diethyl ether 4880.24
    m-xylene 721.12
    p-xylene 640.74
    chlorobenzene 1198.95
    dimethyl carbonate 287.46
    n-octane 162.38
    formamide 220.25
    cyclopentanone 3504.96
    2-pentanone 3650.72
    anisole 890.36
    cyclopentyl methyl ether 3471.47
    gamma-butyrolactone 2609.08
    1-methoxy-2-propanol 2119.82
    pyridine 2553.09
    3-pentanone 2008.49
    furfural 1449.76
    n-dodecane 67.74
    diethylene glycol 773.35
    diisopropyl ether 1248.14
    tert-amyl alcohol 2012.52
    acetylacetone 1962.52
    n-hexadecane 81.84
    acetophenone 751.59
    methyl propionate 1757.46
    isopentyl acetate 2199.86
    trichloroethylene 4517.38
    n-nonanol 441.62
    cyclohexanol 2108.5
    benzyl alcohol 676.55
    2-ethylhexanol 1286.98
    isooctanol 510.43
    dipropyl ether 2704.73
    1,2-dichlorobenzene 954.91
    ethyl lactate 443.46
    propylene carbonate 1215.71
    n-methylformamide 845.74
    2-pentanol 2017.63
    n-pentane 904.58
    1-propoxy-2-propanol 2024.8
    1-methoxy-2-propyl acetate 1660.46
    2-(2-methoxypropoxy) propanol 669.12
    mesitylene 475.04
    ε-caprolactone 2451.39
    p-cymene 382.15
    epichlorohydrin 3714.81
    1,1,1-trichloroethane 3022.09
    2-aminoethanol 486.37
    morpholine-4-carbaldehyde 1485.52
    sulfolane 2642.8
    2,2,4-trimethylpentane 214.94
    2-methyltetrahydrofuran 5202.96
    n-hexyl acetate 1267.08
    isooctane 215.72
    2-(2-butoxyethoxy)ethanol 1047.55
    sec-butyl acetate 1368.02
    tert-butyl acetate 1795.09
    decalin 381.5
    glycerin 308.53
    diglyme 2070.44
    acrylic acid 513.37
    isopropyl myristate 433.26
    n-butyric acid 2248.07
    acetyl acetate 930.38
    di(2-ethylhexyl) phthalate 260.8
    ethyl propionate 1641.47
    nitromethane 1397.69
    1,2-diethoxyethane 2969.8
    benzonitrile 941.58
    trioctyl phosphate 222.22
    1-bromopropane 3758.35
    gamma-valerolactone 3048.43
    n-decanol 311.15
    triethyl phosphate 414.59
    4-methyl-2-pentanol 880.93
    propionitrile 1857.83
    vinylene carbonate 872.3
    1,1,2-trichlorotrifluoroethane 1517.41
    DMS 597.71
    cumene 357.96
    2-octanol 415.31
    2-hexanone 2527.5
    octyl acetate 477.41
    limonene 814.77
    1,2-dimethoxyethane 2760.98
    ethyl orthosilicate 460.6
    tributyl phosphate 327.8
    diacetone alcohol 1463.08
    N,N-dimethylaniline 506.13
    acrylonitrile 1509.65
    aniline 1077.73
    1,3-propanediol 874.95
    bromobenzene 1432.68
    dibromomethane 3626.72
    1,1,2,2-tetrachloroethane 3560.59
    2-methyl-cyclohexyl acetate 885.89
    tetrabutyl urea 388.34
    diisobutyl methanol 724.17
    2-phenylethanol 781.24
    styrene 826.15
    dioctyl adipate 539.44
    dimethyl sulfate 414.43
    ethyl butyrate 1776.92
    methyl lactate 410.14
    butyl lactate 618.68
    diethyl carbonate 741.16
    propanediol butyl ether 609.97
    triethyl orthoformate 929.53
    p-tert-butyltoluene 371.46
    methyl 4-tert-butylbenzoate 505.24
    morpholine 4351.58
    tert-butylamine 2216.92
    n-dodecanol 233.76
    dimethoxymethane 1817.02
    ethylene carbonate 866.57
    cyrene 469.01
    2-ethoxyethyl acetate 1227.59
    2-ethylhexyl acetate 1672.26
    1,2,4-trichlorobenzene 954.85
    4-methylpyridine 2344.25
    dibutyl ether 1761.72
    2,6-dimethyl-4-heptanol 724.17
    DEF 2442.67
    dimethyl isosorbide 1153.63
    tetrachloroethylene 2264.9
    eugenol 461.67
    triacetin 717.28
    span 80 649.34
    1,4-butanediol 305.14
    1,1-dichloroethane 4087.84
    2-methyl-1-pentanol 1324.46
    methyl formate 454.62
    2-methyl-1-butanol 1726.71
    n-decane 152.89
    butyronitrile 2560.79
    3,7-dimethyl-1-octanol 651.94
    1-chlorooctane 568.9
    1-chlorotetradecane 172.49
    n-nonane 185.36
    undecane 96.79
    tert-butylcyclohexane 343.29
    cyclooctane 426.79
    cyclopentanol 1837.55
    tetrahydropyran 6198.95
    tert-amyl methyl ether 1955.43
    2,5,8-trioxanonane 1121.01
    1-hexene 3441.08
    2-isopropoxyethanol 1111.67
    2,2,2-trifluoroethanol 144.72
    methyl butyrate 2203.45

    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
Cilantro (Coriander leaf) 3 8008-52-4 Coriandrum sativum L., fam. Apiaceae (Umbelliferae) 5.6%
Cilantro (Coriander leaf) 2 8008-52-4 Coriandrum sativum L., fam. Apiaceae (Umbelliferae) 4.8%
Sederitis dichotoma (Turkey) Sideritis dichotoma Huter, fam. Lamiaceae (Labiatae) 0.18%
Micromeria carminea (Turkey) Micromeria carminea P.H. Davis (syn.M.cristata), fam. Lamiaceae (Labiatae) 0.15%
Sideritis condensata Sideritis condensata Boiss. et Heldr., fam. Lamiaceae (Labiatae) 0.2%
Cilantro (Coriander leaf) 5a 8008-52-4 Coriandrum sativum L., fam. Apiaceae (Umbelliferae) 5.32%
Cilantro (Coriander leaf) 5b 8008-52-4 Coriandrum sativum L., fam. Apiaceae (Umbelliferae) 1.18%
Fitweed leaf Eryngium foetidum L., fam. Apiaceae (Umbelliferae) 0.41%
Bifora radians (Turkey) Bifora radians Bieb., fam. Apiaceae (Umbelliferae) 0.08%
Cilantro (Coriander leaf) 6a 8008-52-4 Coriandrum sativum L., fam. Apiaceae (Umbelliferae) 3.3%
Yuzu (Japan) 5 Citrus junos Sieb. ex Tanaka, fam. Rutaceae 0.01%
Cilantro (Coriander leaf) 7 8008-52-4 Coriandrum sativum L., fam. Apiaceae (Umbelliferae) 0.57%
Catharanthus roseus marcs Catharanthus roseus (L.) G. Don, fam. Apocynaceae 0.7%
Mandarin (Italy) 8 8008-31-9 Citrus deliciosa Tenore (C. reticulata Blanco, cv.mandarin), fam. Rutaceae 0.01%
Leea guineensis (Cameroon) 1b leaf Leea guineensis G. Don, fam. Leeaceae 0.9%
Orange, sweet (Ethiopia) 1a cv Valencia 8028-48-6 Citrus sinensis (L.) Osbeck, fam. Rutaceae 0.01%
Orange, sweet (Ethiopia) 1b cv Hamlin 8028-48-6 Citrus sinensis (L.) Osbeck, fam. Rutaceae 0.01%
Yuzu (Japana) 6 Citrus junos Sieb. ex Tanaka, fam. Rutaceae 0.01%