2-Hexadecenal

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  • Identifiers

    CAS number
    3163-37-9

    Molecular formula
    C16H30O

    SMILES
    CCCCCCCCCCCCC/C=C/C=O

  • Odor profile

    Fatty 79.95%
    Waxy 69.41%
    Citrus 67.04%
    Fruity 54.14%
    Aldehydic 51.16%
    Orange 48.91%
    Green 45.03%
    Fruit skin 40.53%
    Oily 40.1%
    Fresh 39.9%

    Scent© AI

  • Properties

    XLogP3-AA
    6.9

    Molecular weight
    238.41 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    328°C

    Flash point est.
    148.12 ˚C

  • Synonyms

    • (E)-2-hexadecenal
    • 2-Hexadecenal
    • Hexadecenal
    • (2E)-hexadecenal
    • 22644-96-8
    • (E)-hexadec-2-enal
    • 3163-37-9
    • hexadec-2-enal
    • trans-2-Hexadecenal
    • 2-trans-Hexadecenal
    • trans-hexadec-2-enal
    • (2E)-hexadec-2-enal
    • 27104-14-9
    • Z79H35Z0RU
    • (2E)-2-Hexadecenal
    • UNII-Z79H35Z0RU
    • 2-hexadecenal, E
    • 2-(d5)-hexadecenal
    • 2-Hexadecenal, (E)-
    • 2-Hexadecenal, (2E)-
    • C06123
    • SCHEMBL1783148
    • CHEBI:17585
    • CHEBI:231423
    • DTXSID801015907
    • LMFA06000089
    • FH23781
    • (2E)-2-Hexadecenal;trans-2-Hexadecenal
    • 16:1 aldehyde, (2E)-hexadecenal, powder
    • DB-246804
    • HY-121683
    • 2-(15,15,16,16,16-d5)-hexadecenal
    • Q27102466

  • Applications

    2‑Hexadecenal (CAS 3163‑37‑9) is a long‑chain α,β‑unsaturated aldehyde (C16) valued as a reference standard and comparator in GC‑MS/LC‑MS analyses of lipids and unsaturated aldehydes, and as a biochemical tool in sphingolipid metabolism studies because it is the aldehyde product of sphingosine‑1‑phosphate lyase; in cell biology it is used to probe protein/DNA adduction, oxidative‑stress signaling, and mitochondrial responses; in organic synthesis it serves as a versatile C16 building block for Wittig/aldol/reductions to access long‑chain alkenes, alcohols, acids, and pheromone analogs; it is also assessed as a trace aroma reference (fatty, waxy, green) in flavor/fragrance R&D; owing to its reactivity and oxidation sensitivity, it should be stored under inert atmosphere at low temperature and handled with appropriate PPE.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 183.88
    methanol 90.77
    isopropanol 255.42
    water 0.0
    ethyl acetate 712.78
    n-propanol 231.01
    acetone 569.34
    n-butanol 307.71
    acetonitrile 150.0
    DMF 450.96
    toluene 313.6
    isobutanol 229.5
    1,4-dioxane 642.22
    methyl acetate 341.09
    THF 1843.66
    2-butanone 652.66
    n-pentanol 230.24
    sec-butanol 274.31
    n-hexane 267.18
    ethylene glycol 6.25
    NMP 699.58
    cyclohexane 654.67
    DMSO 681.02
    n-butyl acetate 994.85
    n-octanol 155.33
    chloroform 1207.98
    n-propyl acetate 760.29
    acetic acid 105.44
    dichloromethane 1285.08
    cyclohexanone 1411.33
    propylene glycol 27.14
    isopropyl acetate 648.84
    DMAc 491.62
    2-ethoxyethanol 283.55
    isopentanol 363.15
    n-heptane 276.64
    ethyl formate 222.19
    1,2-dichloroethane 1236.92
    n-hexanol 323.53
    2-methoxyethanol 306.74
    isobutyl acetate 508.85
    tetrachloromethane 331.95
    n-pentyl acetate 669.57
    transcutol 1530.55
    n-heptanol 162.95
    ethylbenzene 237.78
    MIBK 640.73
    2-propoxyethanol 467.33
    tert-butanol 446.36
    MTBE 753.0
    2-butoxyethanol 322.67
    propionic acid 152.07
    o-xylene 248.31
    formic acid 10.85
    diethyl ether 821.44
    m-xylene 258.12
    p-xylene 302.4
    chlorobenzene 453.58
    dimethyl carbonate 91.22
    n-octane 74.57
    formamide 26.3
    cyclopentanone 1317.1
    2-pentanone 846.52
    anisole 384.09
    cyclopentyl methyl ether 1143.57
    gamma-butyrolactone 1008.42
    1-methoxy-2-propanol 402.6
    pyridine 709.25
    3-pentanone 552.29
    furfural 616.44
    n-dodecane 31.71
    diethylene glycol 121.18
    diisopropyl ether 378.26
    tert-amyl alcohol 391.57
    acetylacetone 718.15
    n-hexadecane 39.82
    acetophenone 398.81
    methyl propionate 425.54
    isopentyl acetate 865.18
    trichloroethylene 1618.44
    n-nonanol 159.6
    cyclohexanol 510.12
    benzyl alcohol 209.03
    2-ethylhexanol 353.48
    isooctanol 193.25
    dipropyl ether 1053.74
    1,2-dichlorobenzene 506.52
    ethyl lactate 185.44
    propylene carbonate 555.15
    n-methylformamide 120.02
    2-pentanol 308.16
    n-pentane 164.13
    1-propoxy-2-propanol 581.86
    1-methoxy-2-propyl acetate 670.64
    2-(2-methoxypropoxy) propanol 307.21
    mesitylene 221.01
    ε-caprolactone 1002.5
    p-cymene 217.46
    epichlorohydrin 1331.65
    1,1,1-trichloroethane 1215.04
    2-aminoethanol 36.05
    morpholine-4-carbaldehyde 602.04
    sulfolane 1390.42
    2,2,4-trimethylpentane 84.76
    2-methyltetrahydrofuran 1457.22
    n-hexyl acetate 644.75
    isooctane 73.9
    2-(2-butoxyethoxy)ethanol 424.26
    sec-butyl acetate 613.14
    tert-butyl acetate 801.2
    decalin 178.57
    glycerin 37.24
    diglyme 943.38
    acrylic acid 80.6
    isopropyl myristate 267.45
    n-butyric acid 474.41
    acetyl acetate 327.14
    di(2-ethylhexyl) phthalate 147.29
    ethyl propionate 623.15
    nitromethane 261.65
    1,2-diethoxyethane 1036.45
    benzonitrile 322.05
    trioctyl phosphate 125.42
    1-bromopropane 998.05
    gamma-valerolactone 1238.25
    n-decanol 116.25
    triethyl phosphate 294.24
    4-methyl-2-pentanol 226.74
    propionitrile 257.76
    vinylene carbonate 338.01
    1,1,2-trichlorotrifluoroethane 564.17
    DMS 289.57
    cumene 178.32
    2-octanol 151.72
    2-hexanone 702.34
    octyl acetate 272.25
    limonene 433.54
    1,2-dimethoxyethane 869.34
    ethyl orthosilicate 317.38
    tributyl phosphate 182.68
    diacetone alcohol 570.48
    N,N-dimethylaniline 277.74
    acrylonitrile 204.54
    aniline 251.73
    1,3-propanediol 96.71
    bromobenzene 577.39
    dibromomethane 1002.76
    1,1,2,2-tetrachloroethane 1618.0
    2-methyl-cyclohexyl acetate 564.21
    tetrabutyl urea 248.35
    diisobutyl methanol 301.84
    2-phenylethanol 256.68
    styrene 288.06
    dioctyl adipate 343.47
    dimethyl sulfate 183.83
    ethyl butyrate 860.58
    methyl lactate 114.11
    butyl lactate 325.34
    diethyl carbonate 394.21
    propanediol butyl ether 209.12
    triethyl orthoformate 580.87
    p-tert-butyltoluene 208.23
    methyl 4-tert-butylbenzoate 368.62
    morpholine 984.47
    tert-butylamine 364.09
    n-dodecanol 90.26
    dimethoxymethane 416.58
    ethylene carbonate 346.35
    cyrene 276.93
    2-ethoxyethyl acetate 602.98
    2-ethylhexyl acetate 745.66
    1,2,4-trichlorobenzene 544.3
    4-methylpyridine 685.32
    dibutyl ether 733.15
    2,6-dimethyl-4-heptanol 301.84
    DEF 735.79
    dimethyl isosorbide 724.6
    tetrachloroethylene 916.34
    eugenol 268.63
    triacetin 472.89
    span 80 294.82
    1,4-butanediol 37.12
    1,1-dichloroethane 1058.34
    2-methyl-1-pentanol 261.33
    methyl formate 81.95
    2-methyl-1-butanol 297.8
    n-decane 75.19
    butyronitrile 405.84
    3,7-dimethyl-1-octanol 250.39
    1-chlorooctane 287.95
    1-chlorotetradecane 89.86
    n-nonane 83.41
    undecane 45.98
    tert-butylcyclohexane 139.21
    cyclooctane 189.82
    cyclopentanol 421.16
    tetrahydropyran 1524.27
    tert-amyl methyl ether 594.72
    2,5,8-trioxanonane 543.86
    1-hexene 531.26
    2-isopropoxyethanol 292.41
    2,2,2-trifluoroethanol 34.0
    methyl butyrate 828.5

    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) 0.4%
Ambrette seed (China) 8015-62-1 Hibiscus abelmoschus L. (Abelmoschus moschatus Moench), fam. Malvaceae 0.21%
Nicotiana forgetiana flower Nicotiana forgetiana Hort. ex Hensley (subgenus Petunioides), Solanaceae 0.71%
Cilantro (Coriander leaf) 5a 8008-52-4 Coriandrum sativum L., fam. Apiaceae (Umbelliferae) 0.94%
Cilantro (Coriander leaf) 5b 8008-52-4 Coriandrum sativum L., fam. Apiaceae (Umbelliferae) 1.58%
Bifora radians (Turkey) Bifora radians Bieb., fam. Apiaceae (Umbelliferae) 0.19%
Cilantro (Coriander leaf) 7 8008-52-4 Coriandrum sativum L., fam. Apiaceae (Umbelliferae) 1.93%