Hexadecanal

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  • Identifiers

    CAS number
    629-80-1

    Molecular formula
    C16H32O

    SMILES
    CCCCCCCCCCCCCCCC=O

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 1813.5
    • Carbowax: 2131.0

  • Odor profile

    Waxy 73.04%
    Fatty 71.56%
    Citrus 51.02%
    Meaty 38.15%
    Oily 38.05%
    Fresh 35.77%
    Sweet 34.41%
    Fruit skin 33.98%
    Aldehydic 33.55%
    Orange 33.11%

    Scent© AI

  • Properties

    XLogP3-AA
    7.1

    pKa est.
    7.06 (neutral)

    Molecular weight
    240.42 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    316°C

    Melting point expt.

    • 35 °C

    Flash point est.
    143.84 ˚C

  • Synonyms

    • hexadecanal
    • palmitaldehyde
    • 629-80-1
    • 1-hexadecanal
    • N-hexadecanal
    • 16-Hexadecanal
    • Hexadecanaldehyde
    • Palmitic aldehyde
    • palmitoyl aldehyde
    • cetyl aldehyde
    • hexadecylaldehyde
    • EINECS 211-111-0
    • UNII-WQD27655QE
    • WQD27655QE
    • CHEBI:17600
    • AI3-24252
    • MFCD00055568
    • N-HEXADECAN-1-AL
    • DTXSID5042039
    • Palmityl Aldehyde
    • SCHEMBL4481
    • 629-80-1 (unlabeled)
    • GTPL6627
    • Palmitaldehyde, 16-Hexadecanal
    • QSPL 064
    • CHEMBL1235338
    • DTXCID3022039
    • LMFA06000088
    • RB3019
    • AKOS005145523
    • CS-W004305
    • DB03381
    • FH23779
    • HY-W004305
    • AS-56311
    • SY053520
    • DB-073236
    • H1296
    • NS00022585
    • Palmitaldehyde;1-Hexadecanal;Hexadecanaldehyde
    • C00517
    • BRD-K35114608-001-01-7
    • Q27077978
    • 211-111-0

  • Applications

    Hexadecanal (CAS 629-80-1, also known as palmitaldehyde) is a C16 straight-chain fatty aldehyde with waxy, fatty, slightly green odor, used broadly as a fragrance ingredient in perfumes, soaps, detergents, and personal care products to impart waxy/green and creamy facets, bolster citrus and white-floral accords, and act as a mild fixative; industrially it serves as an intermediate reducible to cetyl alcohol or oxidizable to palmitic acid and as a precursor to imines/Schiff bases, oximes, amides, and amines (including quaternary ammonium salts) for the synthesis of surfactants, fabric softeners, and antimicrobial additives; analytically, hexadecanal is employed as a GC/LC reference standard in studies of long-chain aldehydes, lipid peroxidation products, and natural aroma constituents, and it occurs naturally in certain essential oils, supporting research into olfactory biology and mammalian chemosignaling.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 159.54
    methanol 93.55
    isopropanol 260.84
    water 0.0
    ethyl acetate 903.04
    n-propanol 233.8
    acetone 531.57
    n-butanol 318.23
    acetonitrile 198.93
    DMF 540.43
    toluene 340.16
    isobutanol 246.05
    1,4-dioxane 751.54
    methyl acetate 436.04
    THF 2107.25
    2-butanone 716.32
    n-pentanol 230.57
    sec-butanol 295.28
    n-hexane 298.16
    ethylene glycol 7.15
    NMP 969.66
    cyclohexane 844.39
    DMSO 721.0
    n-butyl acetate 1299.59
    n-octanol 211.12
    chloroform 1654.19
    n-propyl acetate 1000.42
    acetic acid 144.83
    dichloromethane 1703.46
    cyclohexanone 1878.68
    propylene glycol 30.0
    isopropyl acetate 872.33
    DMAc 603.88
    2-ethoxyethanol 318.78
    isopentanol 403.37
    n-heptane 380.76
    ethyl formate 320.61
    1,2-dichloroethane 1419.11
    n-hexanol 337.18
    2-methoxyethanol 359.21
    isobutyl acetate 682.21
    tetrachloromethane 480.46
    n-pentyl acetate 1003.92
    transcutol 1722.43
    n-heptanol 207.89
    ethylbenzene 287.7
    MIBK 765.91
    2-propoxyethanol 504.74
    tert-butanol 491.38
    MTBE 808.42
    2-butoxyethanol 431.95
    propionic acid 219.34
    o-xylene 294.92
    formic acid 15.31
    diethyl ether 817.23
    m-xylene 286.82
    p-xylene 398.65
    chlorobenzene 581.39
    dimethyl carbonate 119.27
    n-octane 102.85
    formamide 37.7
    cyclopentanone 1725.34
    2-pentanone 913.94
    anisole 477.69
    cyclopentyl methyl ether 1349.24
    gamma-butyrolactone 1471.55
    1-methoxy-2-propanol 466.91
    pyridine 887.77
    3-pentanone 673.71
    furfural 927.67
    n-dodecane 43.19
    diethylene glycol 139.85
    diisopropyl ether 445.27
    tert-amyl alcohol 456.28
    acetylacetone 911.18
    n-hexadecane 54.7
    acetophenone 534.18
    methyl propionate 514.84
    isopentyl acetate 1139.31
    trichloroethylene 1959.02
    n-nonanol 216.68
    cyclohexanol 655.33
    benzyl alcohol 250.63
    2-ethylhexanol 435.91
    isooctanol 257.57
    dipropyl ether 1363.0
    1,2-dichlorobenzene 669.63
    ethyl lactate 260.14
    propylene carbonate 856.86
    n-methylformamide 162.55
    2-pentanol 331.22
    n-pentane 167.86
    1-propoxy-2-propanol 708.17
    1-methoxy-2-propyl acetate 848.76
    2-(2-methoxypropoxy) propanol 384.62
    mesitylene 260.5
    ε-caprolactone 1443.83
    p-cymene 302.48
    epichlorohydrin 1571.03
    1,1,1-trichloroethane 1584.84
    2-aminoethanol 40.96
    morpholine-4-carbaldehyde 802.75
    sulfolane 1959.43
    2,2,4-trimethylpentane 103.06
    2-methyltetrahydrofuran 1636.72
    n-hexyl acetate 917.72
    isooctane 87.03
    2-(2-butoxyethoxy)ethanol 531.68
    sec-butyl acetate 831.77
    tert-butyl acetate 1065.89
    decalin 233.94
    glycerin 46.54
    diglyme 1221.38
    acrylic acid 120.22
    isopropyl myristate 377.56
    n-butyric acid 665.77
    acetyl acetate 468.28
    di(2-ethylhexyl) phthalate 199.02
    ethyl propionate 872.41
    nitromethane 375.02
    1,2-diethoxyethane 1226.45
    benzonitrile 444.57
    trioctyl phosphate 177.52
    1-bromopropane 1089.84
    gamma-valerolactone 1691.63
    n-decanol 150.72
    triethyl phosphate 448.94
    4-methyl-2-pentanol 260.01
    propionitrile 334.99
    vinylene carbonate 532.63
    1,1,2-trichlorotrifluoroethane 778.77
    DMS 403.77
    cumene 224.14
    2-octanol 208.02
    2-hexanone 846.17
    octyl acetate 390.3
    limonene 600.4
    1,2-dimethoxyethane 1073.99
    ethyl orthosilicate 472.07
    tributyl phosphate 265.75
    diacetone alcohol 720.46
    N,N-dimethylaniline 346.18
    acrylonitrile 273.32
    aniline 310.04
    1,3-propanediol 115.48
    bromobenzene 729.4
    dibromomethane 1266.1
    1,1,2,2-tetrachloroethane 2041.83
    2-methyl-cyclohexyl acetate 783.24
    tetrabutyl urea 350.75
    diisobutyl methanol 388.63
    2-phenylethanol 301.57
    styrene 343.27
    dioctyl adipate 498.06
    dimethyl sulfate 255.31
    ethyl butyrate 1290.59
    methyl lactate 157.11
    butyl lactate 494.21
    diethyl carbonate 600.38
    propanediol butyl ether 263.58
    triethyl orthoformate 892.3
    p-tert-butyltoluene 281.86
    methyl 4-tert-butylbenzoate 516.58
    morpholine 1115.45
    tert-butylamine 419.09
    n-dodecanol 114.36
    dimethoxymethane 446.81
    ethylene carbonate 561.08
    cyrene 353.48
    2-ethoxyethyl acetate 816.22
    2-ethylhexyl acetate 1008.49
    1,2,4-trichlorobenzene 723.58
    4-methylpyridine 846.7
    dibutyl ether 989.4
    2,6-dimethyl-4-heptanol 388.63
    DEF 932.07
    dimethyl isosorbide 937.19
    tetrachloroethylene 1237.86
    eugenol 360.32
    triacetin 699.62
    span 80 390.09
    1,4-butanediol 45.13
    1,1-dichloroethane 1241.7
    2-methyl-1-pentanol 287.81
    methyl formate 115.12
    2-methyl-1-butanol 329.71
    n-decane 106.66
    butyronitrile 505.09
    3,7-dimethyl-1-octanol 321.51
    1-chlorooctane 393.6
    1-chlorotetradecane 125.71
    n-nonane 116.1
    undecane 62.84
    tert-butylcyclohexane 184.15
    cyclooctane 234.69
    cyclopentanol 551.12
    tetrahydropyran 1692.88
    tert-amyl methyl ether 696.73
    2,5,8-trioxanonane 702.7
    1-hexene 548.75
    2-isopropoxyethanol 338.31
    2,2,2-trifluoroethanol 56.2
    methyl butyrate 1174.99

    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
Lime (Mexican, West Indian, Key) 1 8008-26-2 Citrus aurantifolia (Christm.) Swingle, fam. Rutaceae 0.06%
Lime (Mexican, West Indian, Key) 2 8008-26-2 Citrus aurantifolia (Christm.) Swingle, fam. Rutaceae 0.07%
Lime (Persian) 1 90063-52-8 Citrus latifolia Tanaka, fam. Rutaceae 0.06%
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%
Mandarin (Italy) 5 8008-31-9 Citrus deliciosa Tenore (C. reticulata Blanco, cv.mandarin), fam. Rutaceae 0.01%
Clerodendrum fragrans flower (China) Clerodendrum fragrans Vent., fam. Verbenaceae 1.37%
Protium heptaphyllum 1a leaf Protium heptaphyllum (Aubl.) March., fam. Burseraceae 0.07%
Lime (Persian) (Japan) Citrus latifolia Tanaka, fam. Rutaceae 0.1%
Cilantro (Coriander leaf) 5a 8008-52-4 Coriandrum sativum L., fam. Apiaceae (Umbelliferae) 0.05%
Cilantro (Coriander leaf) 5b 8008-52-4 Coriandrum sativum L., fam. Apiaceae (Umbelliferae) 0.1%
Fitweed seed Eryngium foetidum L., fam. Apiaceae (Umbelliferae) 0.17%
Solanum stuckertii flower Solanum stuckertii Bitter, fam. Solanaceae 2.56%
Solanum incisum flower Solanum incisum Griseb., fam. Solanaceae 1.34%
Citron (Italy) peel 1b Citrus medica L., cultivar Diamante, fam. Rutaceae 0.01%
Citron (Italy) peel 1c Citrus medica L., cultivar Diamante, fam. Rutaceae 0.15%
Bifora radians (Turkey) Bifora radians Bieb., fam. Apiaceae (Umbelliferae) 3.85%
Pummelo (Shaddock) (India) peel 84696-38-8 Citrus maxima (J. Burman) Merrill. (C. grandis (L.) Osbeck), fam. Rutaceae 0.01%
Lantana camara (India) 1b flower 90046-17-6 Lantana camara L., fam. Verbenaceae 0.1%
Mandarin (Italy) 8 8008-31-9 Citrus deliciosa Tenore (C. reticulata Blanco, cv.mandarin), fam. Rutaceae 0.01%
Tangerine (USA-Florida) 3 8008-31-9 Citrus reticulata Blanco, cultivar Dansy, fam. Rutaceae 0.01%
Yarrow (India) 84082-83-7 Achillea millefolium L., fam. Asteraceae (Compositae) 0.05%
Cerastium candidissimum (Greece) Cerastium candidissimum Correns, fam. Caryophyllaceae 0.8%
Tobacco, Yaka 8037-19-2 Nicotiana tabacum L., fam. Solanaceae 0.3%
Lime (Mexican, West Indian, Key) (France) 2 leaf 8008-26-2 Citrus aurantifolia (Christm.) Swingle, fam. Rutaceae 0.24%