2-Nonenal

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  • Identifiers

    CAS number
    2463-53-8

    Molecular formula
    C9H16O

    SMILES
    CCCCCC/C=C/C=O

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 1162.75
    • Carbowax: 1526.5

  • Odor profile

    Green 91.01%
    Fatty 88.71%
    Waxy 75.88%
    Fruity 74.64%
    Citrus 71.93%
    Aldehydic 70.22%
    Fresh 64.84%
    Cucumber 62.74%
    Melon 59.5%
    Vegetable 58.56%

    Scent© AI

  • Properties

    XLogP3-AA
    3.1

    Molecular weight
    140.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    215°C

    Flash point est.
    76.74 ˚C

    Solubility expt.

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

  • Synonyms

    • trans-2-Nonenal
    • 18829-56-6
    • 2-NONENAL
    • (E)-Non-2-enal
    • (E)-2-Nonenal
    • 2-Nonenal, (2E)-
    • 2-Nonenal, (E)-
    • 2-trans-Nonenal
    • 2463-53-8
    • 3-Hexyl-2-propenal
    • trans-2-Nonen-1-al
    • (2E)-non-2-enal
    • 3-Hexylacrolein
    • (E)-2-nonen-1-al
    • 2-Nonen-1-al
    • (2E)-2-Nonenal
    • FEMA No. 3213
    • beta-Hexylacrolein
    • MFCD00007012
    • Heptylideneacetaldehyde
    • alpha-Nonenyl aldehyde
    • DTXSID0047086
    • 8VEO649985
    • trans-2-Nonenal-D2
    • 3-hexyl-acrolein
    • .beta.-Hexylacrolein
    • trans-2-Nonenal (natural)
    • trans-Non-2-enal
    • .alpha.-Nonenyl aldehyde
    • CCRIS 3326
    • CCRIS 9203
    • 213595-54-1
    • EINECS 219-562-5
    • EINECS 242-609-6
    • NSC 20746
    • BRN 1722170
    • AI3-36268
    • UNII-8VEO649985
    • t-2-nonenal
    • (2e)-nonenal
    • trans-2-nonealdehyde
    • heptylidene acetaldehyde
    • trans-2-Nonenal, 97%
    • UNII-93C6BZW2TV
    • 2-NONENAL [FHFI]
    • 2-NONENAL [MI]
    • 2-NONENAL, TRANS-
    • 93C6BZW2TV
    • 4-01-00-03502 (Beilstein Handbook Reference)
    • SCHEMBL102464
    • CHEMBL450072
    • DTXCID8027086
    • (E)-2-NONENAL [FCC]
    • CHEBI:142592
    • trans-2-Nonenal, >=95%, FG
    • Tox21_300815
    • LMFA06000041
    • trans-2-Nonenal, analytical standard
    • AKOS015902295
    • FT35477
    • NCGC00248181-01
    • NCGC00254719-01
    • AS-17376
    • LS-13683
    • CAS-18829-56-6
    • N0430
    • N0483
    • NS00083046
    • D91718
    • EN300-396736
    • EN300-1664833
    • Q4596912

  • Applications

    2-Nonenal (CAS 2463-53-8), also known as (E)-2-nonenal, is an unsaturated aldehyde with an extremely low odor threshold; it is used in perfumery to impart fatty, green, papery, citrus-peel and faint cucumber nuances at trace levels for “skin,” “linen,” and “vintage” accords; in flavor and sensory science as a reference standard for the stale cardboard/papery note of aged beer, oxidized fats and aged foods, and as a nuance in cucumber, melon or citrus flavors; in analytics and QA/QC as a GC/GC-MS standard and as a marker of lipid peroxidation to assess freshness, packaging shelf life and odor-formation pathways; in biomedical and gerontology research as a biomarker linked to age-associated body odor to study sebum oxidation and deodorization efficacy; in environmental odor control as a target compound to validate adsorbents, catalytic oxidizers and air-cleaning systems; and in organic synthesis as a straight-chain aldehyde building block for preparing alcohols, acids, oximes/Schiff bases and chain-extended products leading to specialty fragrances, bioactives and monomers.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4510.63
    methanol 4182.99
    isopropanol 3746.83
    water 0.06
    ethyl acetate 4158.39
    n-propanol 3634.03
    acetone 6904.91
    n-butanol 3416.02
    acetonitrile 2652.53
    DMF 3480.65
    toluene 1263.28
    isobutanol 2537.01
    1,4-dioxane 3666.07
    methyl acetate 2424.18
    THF 6622.95
    2-butanone 4613.66
    n-pentanol 2142.89
    sec-butanol 2736.58
    n-hexane 1366.45
    ethylene glycol 365.52
    NMP 2374.37
    cyclohexane 1158.44
    DMSO 6127.77
    n-butyl acetate 3282.93
    n-octanol 608.66
    chloroform 4135.37
    n-propyl acetate 2484.81
    acetic acid 1829.54
    dichloromethane 4794.66
    cyclohexanone 4880.4
    propylene glycol 739.5
    isopropyl acetate 2130.78
    DMAc 1451.18
    2-ethoxyethanol 1852.95
    isopentanol 2690.1
    n-heptane 495.95
    ethyl formate 1396.36
    1,2-dichloroethane 4378.99
    n-hexanol 2475.9
    2-methoxyethanol 3491.4
    isobutyl acetate 1248.18
    tetrachloromethane 867.41
    n-pentyl acetate 1171.92
    transcutol 6658.19
    n-heptanol 663.44
    ethylbenzene 609.56
    MIBK 1842.01
    2-propoxyethanol 2817.81
    tert-butanol 3823.78
    MTBE 3686.84
    2-butoxyethanol 1107.51
    propionic acid 1927.84
    o-xylene 569.42
    formic acid 309.82
    diethyl ether 5152.66
    m-xylene 833.62
    p-xylene 669.74
    chlorobenzene 1438.27
    dimethyl carbonate 466.11
    n-octane 135.79
    formamide 578.27
    cyclopentanone 5009.05
    2-pentanone 4338.38
    anisole 1018.56
    cyclopentyl methyl ether 3963.69
    gamma-butyrolactone 4033.94
    1-methoxy-2-propanol 2883.52
    pyridine 3274.58
    3-pentanone 2432.96
    furfural 2095.62
    n-dodecane 63.17
    diethylene glycol 1300.46
    diisopropyl ether 1214.34
    tert-amyl alcohol 2623.2
    acetylacetone 2576.99
    n-hexadecane 74.98
    acetophenone 851.97
    methyl propionate 2505.11
    isopentyl acetate 2329.83
    trichloroethylene 5625.32
    n-nonanol 502.38
    cyclohexanol 2652.97
    benzyl alcohol 839.75
    2-ethylhexanol 1415.42
    isooctanol 548.78
    dipropyl ether 2389.81
    1,2-dichlorobenzene 1105.41
    ethyl lactate 532.54
    propylene carbonate 1628.6
    n-methylformamide 1812.33
    2-pentanol 2456.26
    n-pentane 802.47
    1-propoxy-2-propanol 2479.45
    1-methoxy-2-propyl acetate 1953.57
    2-(2-methoxypropoxy) propanol 824.92
    mesitylene 504.01
    ε-caprolactone 3012.16
    p-cymene 383.89
    epichlorohydrin 4485.31
    1,1,1-trichloroethane 3387.64
    2-aminoethanol 1085.14
    morpholine-4-carbaldehyde 2130.76
    sulfolane 4170.68
    2,2,4-trimethylpentane 215.17
    2-methyltetrahydrofuran 5870.9
    n-hexyl acetate 1416.14
    isooctane 216.36
    2-(2-butoxyethoxy)ethanol 1293.43
    sec-butyl acetate 1426.02
    tert-butyl acetate 2019.73
    decalin 351.55
    glycerin 673.14
    diglyme 2424.43
    acrylic acid 1127.28
    isopropyl myristate 449.02
    n-butyric acid 3345.72
    acetyl acetate 1173.44
    di(2-ethylhexyl) phthalate 309.1
    ethyl propionate 1742.34
    nitromethane 2775.23
    1,2-diethoxyethane 3201.65
    benzonitrile 1166.34
    trioctyl phosphate 252.31
    1-bromopropane 3590.88
    gamma-valerolactone 4022.41
    n-decanol 360.07
    triethyl phosphate 427.6
    4-methyl-2-pentanol 999.62
    propionitrile 2527.52
    vinylene carbonate 1255.64
    1,1,2-trichlorotrifluoroethane 2261.39
    DMS 792.57
    cumene 373.26
    2-octanol 465.15
    2-hexanone 2745.9
    octyl acetate 519.1
    limonene 821.36
    1,2-dimethoxyethane 3155.66
    ethyl orthosilicate 477.04
    tributyl phosphate 372.37
    diacetone alcohol 1855.26
    N,N-dimethylaniline 564.51
    acrylonitrile 2390.32
    aniline 1424.54
    1,3-propanediol 1692.46
    bromobenzene 1595.71
    dibromomethane 3872.35
    1,1,2,2-tetrachloroethane 4181.24
    2-methyl-cyclohexyl acetate 912.06
    tetrabutyl urea 449.09
    diisobutyl methanol 750.26
    2-phenylethanol 951.84
    styrene 881.31
    dioctyl adipate 577.06
    dimethyl sulfate 684.04
    ethyl butyrate 1808.82
    methyl lactate 658.99
    butyl lactate 729.61
    diethyl carbonate 778.95
    propanediol butyl ether 881.45
    triethyl orthoformate 929.36
    p-tert-butyltoluene 374.54
    methyl 4-tert-butylbenzoate 550.85
    morpholine 5365.51
    tert-butylamine 2668.69
    n-dodecanol 268.62
    dimethoxymethane 2436.32
    ethylene carbonate 1140.18
    cyrene 572.64
    2-ethoxyethyl acetate 1399.79
    2-ethylhexyl acetate 1736.14
    1,2,4-trichlorobenzene 1140.59
    4-methylpyridine 2903.87
    dibutyl ether 1681.81
    2,6-dimethyl-4-heptanol 750.26
    DEF 3149.11
    dimethyl isosorbide 1361.49
    tetrachloroethylene 2749.01
    eugenol 558.95
    triacetin 831.39
    span 80 809.72
    1,4-butanediol 543.61
    1,1-dichloroethane 4495.74
    2-methyl-1-pentanol 1598.31
    methyl formate 996.84
    2-methyl-1-butanol 2265.57
    n-decane 132.09
    butyronitrile 3131.51
    3,7-dimethyl-1-octanol 727.54
    1-chlorooctane 549.09
    1-chlorotetradecane 167.91
    n-nonane 155.69
    undecane 88.4
    tert-butylcyclohexane 343.92
    cyclooctane 324.78
    cyclopentanol 2674.01
    tetrahydropyran 6655.5
    tert-amyl methyl ether 2144.31
    2,5,8-trioxanonane 1341.26
    1-hexene 3244.42
    2-isopropoxyethanol 1393.97
    2,2,2-trifluoroethanol 337.22
    methyl butyrate 2386.21

    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
Carrot leaf (India) 8015-88-1 Daucus carota L. var. sativa, fam. Apiaceae (Umbelliferae) 4.02%
Rosa rugosa Rosa rugosa Thunb., var. plena Regel, fam. Rosaceae 0.01%
Carrot seed (Japan) 8015-88-1 Daucus carota L., fam. Apiaceae (Umbelliferae) 0.23%
Pear (Japan), Asian Pyrus serotina Rehder (Asian pear), cultivar Chojui, fam. Rosaceae 1.62%
Lemon (Italy-Sicily) 9 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 0.02%
Nicotiana forgetiana flower Nicotiana forgetiana Hort. ex Hensley (subgenus Petunioides), Solanaceae 0.55%