Heptadecanal

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  • Identifiers

    CAS number
    629-90-3

    Molecular formula
    C17H34O

    SMILES
    CCCCCCCCCCCCCCCCC=O

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Retention indicies (RI)

    • Carbowax: 2229.5

  • Odor profile

    Waxy 72.87%
    Fatty 70.61%
    Citrus 42.77%
    Oily 39.07%
    Meaty 37.81%
    Sweet 30.97%
    Fresh 30.81%
    Fruit skin 30.35%
    Clean 29.55%
    Soapy 28.94%

    Scent© AI

  • Properties

    XLogP3-AA
    7.6

    Molecular weight
    254.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    332°C

    Melting point expt.

    • 36 °C

    Flash point est.
    151.39 ˚C

  • Synonyms

    • Heptadecanal
    • n-heptadecanal
    • 629-90-3
    • 1-Heptadecanal
    • margaraldehyde
    • heptadecan-1-al
    • Hexadecyl Aldehyde
    • EINECS 211-115-2
    • AI3-24250
    • MARGARIC ALDEHYDE
    • UNII-74T693129Y
    • 74T693129Y
    • CHEBI:138631
    • DTXSID00212080
    • Heptadecanal; 1-Heptadecanal; Margaric Aldehyde
    • Heptadecanaldehyde
    • Heptadecyl Aldehyde
    • MFCD04034658
    • SCHEMBL119787
    • DTXCID00134571
    • LMFA06000097
    • AKOS025402673
    • CS-W004306
    • AS-56564
    • H1295
    • NS00042778
    • H10978
    • Q27266306
    • 211-115-2

  • Applications

    Heptadecanal (CAS 629-90-3) is a C17 long-chain fatty aldehyde used mainly as a versatile intermediate: it is reduced to heptadecanol or oxidized to heptadecanoic acid for the manufacture of surfactants, lubricants, and oil additives; forms Schiff bases (imines), oximes, and hydrazones for ligands, sensors, and polymer/rubber modification to introduce hydrophobic C17 tails; serves as a model substrate in aldol, acetalization, and selective (de)hydrogenation studies to benchmark heterogeneous catalysts; acts as a GC/LC–MS reference or internal standard for long-chain aldehydes in lipid peroxidation research and retention-index calibration; and is employed for surface and materials modification via amine coupling to promote self-assembly and improve phase compatibility.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 81.38
    methanol 50.94
    isopropanol 139.4
    water 0.0
    ethyl acetate 596.27
    n-propanol 126.71
    acetone 306.16
    n-butanol 183.55
    acetonitrile 115.39
    DMF 370.38
    toluene 227.33
    isobutanol 142.1
    1,4-dioxane 502.95
    methyl acetate 289.05
    THF 1488.51
    2-butanone 450.16
    n-pentanol 135.81
    sec-butanol 166.68
    n-hexane 162.98
    ethylene glycol 4.2
    NMP 780.68
    cyclohexane 564.39
    DMSO 493.22
    n-butyl acetate 906.36
    n-octanol 147.32
    chloroform 1210.97
    n-propyl acetate 709.7
    acetic acid 94.21
    dichloromethane 1236.58
    cyclohexanone 1337.39
    propylene glycol 17.77
    isopropyl acetate 615.81
    DMAc 471.19
    2-ethoxyethanol 210.87
    isopentanol 245.46
    n-heptane 241.67
    ethyl formate 214.97
    1,2-dichloroethane 1003.51
    n-hexanol 202.19
    2-methoxyethanol 227.71
    isobutyl acetate 507.05
    tetrachloromethane 358.65
    n-pentyl acetate 784.87
    transcutol 1271.73
    n-heptanol 141.41
    ethylbenzene 200.13
    MIBK 542.86
    2-propoxyethanol 328.56
    tert-butanol 287.86
    MTBE 508.99
    2-butoxyethanol 312.0
    propionic acid 140.41
    o-xylene 210.76
    formic acid 10.68
    diethyl ether 478.79
    m-xylene 199.76
    p-xylene 287.35
    chlorobenzene 412.06
    dimethyl carbonate 87.29
    n-octane 69.2
    formamide 26.0
    cyclopentanone 1263.51
    2-pentanone 590.49
    anisole 354.37
    cyclopentyl methyl ether 937.82
    gamma-butyrolactone 1082.89
    1-methoxy-2-propanol 298.13
    pyridine 598.43
    3-pentanone 453.24
    furfural 702.76
    n-dodecane 30.52
    diethylene glycol 91.96
    diisopropyl ether 296.55
    tert-amyl alcohol 286.45
    acetylacetone 649.76
    n-hexadecane 38.71
    acetophenone 422.02
    methyl propionate 351.72
    isopentyl acetate 825.36
    trichloroethylene 1444.37
    n-nonanol 157.54
    cyclohexanol 422.51
    benzyl alcohol 176.98
    2-ethylhexanol 283.22
    isooctanol 181.55
    dipropyl ether 889.98
    1,2-dichlorobenzene 510.8
    ethyl lactate 194.15
    propylene carbonate 647.15
    n-methylformamide 103.93
    2-pentanol 195.33
    n-pentane 94.56
    1-propoxy-2-propanol 472.57
    1-methoxy-2-propyl acetate 627.1
    2-(2-methoxypropoxy) propanol 295.3
    mesitylene 188.68
    ε-caprolactone 1070.68
    p-cymene 226.61
    epichlorohydrin 1153.98
    1,1,1-trichloroethane 1170.6
    2-aminoethanol 24.15
    morpholine-4-carbaldehyde 602.46
    sulfolane 1586.12
    2,2,4-trimethylpentane 70.84
    2-methyltetrahydrofuran 1131.08
    n-hexyl acetate 696.7
    isooctane 57.32
    2-(2-butoxyethoxy)ethanol 402.67
    sec-butyl acetate 605.02
    tert-butyl acetate 794.78
    decalin 166.17
    glycerin 30.19
    diglyme 948.79
    acrylic acid 79.51
    isopropyl myristate 287.3
    n-butyric acid 433.64
    acetyl acetate 338.76
    di(2-ethylhexyl) phthalate 155.12
    ethyl propionate 622.59
    nitromethane 256.95
    1,2-diethoxyethane 879.53
    benzonitrile 309.44
    trioctyl phosphate 137.06
    1-bromopropane 709.61
    gamma-valerolactone 1262.09
    n-decanol 106.53
    triethyl phosphate 363.34
    4-methyl-2-pentanol 165.69
    propionitrile 197.91
    vinylene carbonate 403.23
    1,1,2-trichlorotrifluoroethane 588.11
    DMS 313.12
    cumene 163.09
    2-octanol 144.48
    2-hexanone 583.4
    octyl acetate 297.64
    limonene 449.13
    1,2-dimethoxyethane 745.03
    ethyl orthosilicate 378.6
    tributyl phosphate 205.6
    diacetone alcohol 527.79
    N,N-dimethylaniline 264.5
    acrylonitrile 166.06
    aniline 207.09
    1,3-propanediol 68.87
    bromobenzene 523.04
    dibromomethane 906.66
    1,1,2,2-tetrachloroethane 1541.35
    2-methyl-cyclohexyl acetate 616.51
    tetrabutyl urea 279.3
    diisobutyl methanol 269.6
    2-phenylethanol 214.67
    styrene 236.75
    dioctyl adipate 395.06
    dimethyl sulfate 203.34
    ethyl butyrate 947.83
    methyl lactate 112.27
    butyl lactate 383.18
    diethyl carbonate 446.47
    propanediol butyl ether 194.26
    triethyl orthoformate 689.1
    p-tert-butyltoluene 212.48
    methyl 4-tert-butylbenzoate 426.95
    morpholine 732.89
    tert-butylamine 246.38
    n-dodecanol 80.46
    dimethoxymethane 300.45
    ethylene carbonate 418.4
    cyrene 292.52
    2-ethoxyethyl acetate 637.59
    2-ethylhexyl acetate 737.96
    1,2,4-trichlorobenzene 558.24
    4-methylpyridine 574.11
    dibutyl ether 699.07
    2,6-dimethyl-4-heptanol 269.6
    DEF 647.11
    dimethyl isosorbide 771.16
    tetrachloroethylene 922.26
    eugenol 290.11
    triacetin 573.17
    span 80 298.75
    1,4-butanediol 28.25
    1,1-dichloroethane 847.45
    2-methyl-1-pentanol 182.96
    methyl formate 77.4
    2-methyl-1-butanol 200.63
    n-decane 74.57
    butyronitrile 307.99
    3,7-dimethyl-1-octanol 227.31
    1-chlorooctane 285.84
    1-chlorotetradecane 92.13
    n-nonane 79.76
    undecane 44.22
    tert-butylcyclohexane 128.93
    cyclooctane 159.46
    cyclopentanol 362.03
    tetrahydropyran 1091.01
    tert-amyl methyl ether 466.5
    2,5,8-trioxanonane 555.99
    1-hexene 308.26
    2-isopropoxyethanol 230.5
    2,2,2-trifluoroethanol 41.77
    methyl butyrate 840.43

    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
Narcissus tazetta absolute 2 8023-75-4 Narcissus tazetta L., fam. Amaryllidaceae 0.1%
Etrog, peel Citrus medica L., cultivar ethrog Engl., fam. Rutaceae 0.01%
Cilantro (Coriander leaf) 3 8008-52-4 Coriandrum sativum L., fam. Apiaceae (Umbelliferae) 0.3%
Lime (Persian) (Japan) Citrus latifolia Tanaka, fam. Rutaceae 0.02%
Bifora radians (Turkey) Bifora radians Bieb., fam. Apiaceae (Umbelliferae) 0.59%
Yuzu (Japana) 6 Citrus junos Sieb. ex Tanaka, fam. Rutaceae 0.01%
Tobacco, Yaka 8037-19-2 Nicotiana tabacum L., fam. Solanaceae 0.5%