Nonacosane

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  • Identifiers

    CAS number
    630-03-5

    Molecular formula
    C29H60

    SMILES
    CCCCCCCCCCCCCCCCCCCCCCCCCCCCC

    Retention indicies (RI)

    • DB5: 2900.0
    • Carbowax: 2900.0

  • Odor profile

    Waxy 86.1%
    Fatty 38.15%
    Oily 30.77%
    Odorless 25.16%
    Fishy 17.0%
    Meaty 14.24%
    Savory 12.86%
    Sweet 12.8%
    Burnt 11.64%
    Animal 10.97%

    Scent© AI

  • Properties

    XLogP3-AA
    15.3

    pKa est.
    10.11 (weak base)

    Molecular weight
    408.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 63.7 °C
    • 64 °C

    Boiling point

    • 443 °C
    • 440.00 to 441.00 °C. @ 760.00 mm Hg

    Flash point est.
    231.32 ˚C

    Solubility expt.

    • Insoluble in water
    • Very soluble in ethanol, ether, acetone; soluble in benzene; slightly soluble in chloroform

  • Synonyms

    • NONACOSANE
    • n-Nonacosane
    • 630-03-5
    • UNII-IGL1697BK1
    • CHEBI:7613
    • IGL1697BK1
    • EINECS 211-126-2
    • MFCD00009356
    • CELIDONIOL, DEOXY-
    • AI3-36284
    • DTXSID2060884
    • Nonacosane -
    • HSDB 8359
    • Octacosane, methyl-
    • CH3-(CH2)27-CH3
    • CH3-[CH2]27-CH3
    • Nonacosane; Celidoniol, deoxy- (7CI); n-Nonacosane
    • Nonacosane, 99%
    • Nonacosane (Standard)
    • Nonacosane, analytical standard
    • CHEMBL428955
    • DTXCID8043602
    • HY-N5127R
    • HY-N5127
    • LMFA11000005
    • N-C-29
    • AKOS015902539
    • AS-56220
    • DB-054368
    • CS-0032473
    • N0167
    • NS00010790
    • C08384
    • P50001
    • Q151038
    • DC7C60EC-A78D-4260-BEE6-9249D1D69C33
    • 211-126-2

  • Applications

    Nonacosane (CAS 630-03-5) is a straight-chain C29 alkane with a melting point around 63–65°C, used widely as an n-alkane reference in GC/GC–MS (setting Kovats retention indices, calibrating retention times, profiling n-alkane distributions in petroleum, sediments, and biogenic waxes), as a geochemical and paleoclimate tool to trace terrestrial plant inputs (together with C27/C31 leaf-wax markers), as a low-temperature solid–liquid phase-change material for thermal energy storage, as a wax/paraffin component in candles, polishes, water-repellent and hydrophobic coatings, as a processing aid and lubricant for polyolefins, as a model compound for studies of crystallization, phase transitions and surface freezing at interfaces, and as a reference in chemical ecology when examining insect cuticular hydrocarbons and chemical signaling; its chemical inertness, hydrophobicity, and low volatility/toxicity make it suitable for both research and industrial applications.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.64
    methanol 1.65
    isopropanol 4.66
    water 0.01
    ethyl acetate 105.77
    n-propanol 6.82
    acetone 36.93
    n-butanol 11.92
    acetonitrile 6.68
    DMF 43.62
    toluene 62.9
    isobutanol 10.69
    1,4-dioxane 121.06
    methyl acetate 49.04
    THF 383.85
    2-butanone 69.38
    n-pentanol 11.32
    sec-butanol 12.88
    n-hexane 44.11
    ethylene glycol 0.28
    NMP 274.32
    cyclohexane 252.63
    DMSO 69.3
    n-butyl acetate 231.77
    n-octanol 37.4
    chloroform 312.79
    n-propyl acetate 143.95
    acetic acid 11.27
    dichloromethane 279.84
    cyclohexanone 336.71
    propylene glycol 1.07
    isopropyl acetate 148.07
    DMAc 153.42
    2-ethoxyethanol 20.99
    isopentanol 21.93
    n-heptane 148.62
    ethyl formate 27.91
    1,2-dichloroethane 191.59
    n-hexanol 20.18
    2-methoxyethanol 17.3
    isobutyl acetate 133.36
    tetrachloromethane 133.71
    n-pentyl acetate 295.53
    transcutol 249.18
    n-heptanol 31.43
    ethylbenzene 53.73
    MIBK 125.61
    2-propoxyethanol 38.73
    tert-butanol 19.89
    MTBE 98.45
    2-butoxyethanol 61.68
    propionic acid 17.42
    o-xylene 76.98
    formic acid 1.3
    diethyl ether 66.59
    m-xylene 59.92
    p-xylene 85.04
    chlorobenzene 104.64
    dimethyl carbonate 29.42
    n-octane 51.03
    formamide 2.67
    cyclopentanone 315.87
    2-pentanone 96.04
    anisole 95.07
    cyclopentyl methyl ether 327.91
    gamma-butyrolactone 257.76
    1-methoxy-2-propanol 27.13
    pyridine 104.04
    3-pentanone 117.8
    furfural 141.61
    n-dodecane 18.38
    diethylene glycol 8.26
    diisopropyl ether 90.57
    tert-amyl alcohol 37.47
    acetylacetone 156.08
    n-hexadecane 23.96
    acetophenone 126.22
    methyl propionate 74.61
    isopentyl acetate 281.12
    trichloroethylene 331.28
    n-nonanol 48.05
    cyclohexanol 61.87
    benzyl alcohol 25.16
    2-ethylhexanol 63.95
    isooctanol 47.82
    dipropyl ether 337.86
    1,2-dichlorobenzene 160.46
    ethyl lactate 40.82
    propylene carbonate 181.36
    n-methylformamide 9.06
    2-pentanol 17.61
    n-pentane 23.89
    1-propoxy-2-propanol 87.66
    1-methoxy-2-propyl acetate 215.37
    2-(2-methoxypropoxy) propanol 90.99
    mesitylene 70.58
    ε-caprolactone 306.01
    p-cymene 115.64
    epichlorohydrin 233.19
    1,1,1-trichloroethane 369.82
    2-aminoethanol 1.31
    morpholine-4-carbaldehyde 147.82
    sulfolane 519.13
    2,2,4-trimethylpentane 40.49
    2-methyltetrahydrofuran 321.57
    n-hexyl acetate 238.56
    isooctane 24.19
    2-(2-butoxyethoxy)ethanol 97.76
    sec-butyl acetate 173.27
    tert-butyl acetate 297.2
    decalin 92.36
    glycerin 2.49
    diglyme 343.6
    acrylic acid 10.56
    isopropyl myristate 137.73
    n-butyric acid 54.73
    acetyl acetate 100.28
    di(2-ethylhexyl) phthalate 58.2
    ethyl propionate 155.27
    nitromethane 32.67
    1,2-diethoxyethane 273.08
    benzonitrile 42.82
    trioctyl phosphate 51.48
    1-bromopropane 147.5
    gamma-valerolactone 291.3
    n-decanol 31.84
    triethyl phosphate 231.0
    4-methyl-2-pentanol 22.84
    propionitrile 14.28
    vinylene carbonate 108.92
    1,1,2-trichlorotrifluoroethane 128.7
    DMS 114.97
    cumene 52.79
    2-octanol 38.36
    2-hexanone 116.72
    octyl acetate 117.43
    limonene 248.3
    1,2-dimethoxyethane 137.07
    ethyl orthosilicate 254.13
    tributyl phosphate 82.94
    diacetone alcohol 120.46
    N,N-dimethylaniline 94.52
    acrylonitrile 11.85
    aniline 38.96
    1,3-propanediol 4.28
    bromobenzene 165.42
    dibromomethane 206.16
    1,1,2,2-tetrachloroethane 390.77
    2-methyl-cyclohexyl acetate 299.62
    tetrabutyl urea 130.91
    diisobutyl methanol 95.23
    2-phenylethanol 34.11
    styrene 57.12
    dioctyl adipate 182.99
    dimethyl sulfate 89.64
    ethyl butyrate 367.07
    methyl lactate 21.82
    butyl lactate 116.71
    diethyl carbonate 193.86
    propanediol butyl ether 31.41
    triethyl orthoformate 393.19
    p-tert-butyltoluene 115.49
    methyl 4-tert-butylbenzoate 206.91
    morpholine 115.97
    tert-butylamine 20.7
    n-dodecanol 24.57
    dimethoxymethane 56.61
    ethylene carbonate 115.29
    cyrene 96.39
    2-ethoxyethyl acetate 230.24
    2-ethylhexyl acetate 307.49
    1,2,4-trichlorobenzene 191.61
    4-methylpyridine 108.53
    dibutyl ether 304.25
    2,6-dimethyl-4-heptanol 95.23
    DEF 148.22
    dimethyl isosorbide 351.07
    tetrachloroethylene 233.08
    eugenol 93.92
    triacetin 253.93
    span 80 87.12
    1,4-butanediol 2.06
    1,1-dichloroethane 155.44
    2-methyl-1-pentanol 22.98
    methyl formate 10.1
    2-methyl-1-butanol 20.88
    n-decane 50.1
    butyronitrile 23.97
    3,7-dimethyl-1-octanol 69.1
    1-chlorooctane 129.99
    1-chlorotetradecane 42.69
    n-nonane 51.92
    undecane 27.89
    tert-butylcyclohexane 66.39
    cyclooctane 105.48
    cyclopentanol 54.11
    tetrahydropyran 243.09
    tert-amyl methyl ether 146.8
    2,5,8-trioxanonane 193.95
    1-hexene 50.11
    2-isopropoxyethanol 29.85
    2,2,2-trifluoroethanol 8.94
    methyl butyrate 185.85

    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
Apple flower Malus arnoldiana (Rehd) Sarg. var. Redgold, fam. Rosaceae 12.25%
Seafennel 89997-98-8 Crithmum maritimum L., fam. Apiaceae (Umbelliferae) 0.39%
Rhus coriaria Rhus coriaria L., fam. Anarcadiaceae 2.0%
Sideritis condensata Sideritis condensata Boiss. et Heldr., fam. Lamiaceae (Labiatae) 0.7%
Rose (Bulgaria) 4c 8007-01-0 Rosa damascena Mill., fam. Rosaceae 1.0%
Litsea cubeba (India) 2a stem 68555-99-2 Litsea cubeba (Lour.) Pers. (L. citrata Blume), fam. Lauraceae 0.15%
Bifora radians (Turkey) Bifora radians Bieb., fam. Apiaceae (Umbelliferae) 0.18%
Mullilam leaf (India) Zanthoxylum rhetsa D.C. syn. Z. limonella (Dennst.) Alston, fam. Rutaceae 1.5%
Sage, spanish 2 8016-65-7 Salvia lavandulaefolia Vahl., fam. Lamiaceae (Labiatae) 2.3%
Acacia caven flower Acacia caven (Mol.) Mol., fam. Mimosaceae (Leguminosae) 0.4%
Pinus sylvestris (Greece) 8023-99-2 Pinus sylvestris L. (Scotch pine), fam. Pinaceae 6.8%
Anthoxanthum odoratum (Italy) 1a fresh leaf Anthoxanthum odoratum L., fam. Poaceae (Gramineae) 0.1%
Anthoxanthum odoratum (Italy) 1b hay Anthoxanthum odoratum L., fam. Poaceae (Gramineae) 0.2%
Tanacetum balsamita Tanacetum balsamita L., fam. Asteraceae (Compositae) 0.1%
Salvia argentea (Greece) Salvia argentea L., fam. Lamiaceae (Labiatae) 1.6%
Rocket leaf 1 Eruca sativa L., fam. Brassicaceae 2.01%
Ferula elaeochytris fruit Ferula elaeochytris Korovin, fam. Apiaceae (Umbelliferae) 0.1%
Zosima absinthifolia fruit Zosima absinthifolia (Vent.) Link, fam. Apiaceae (Umbelliferae) 0.1%
Salvia aucheri (Turkey) 1a var. aucheri Salvia aucheri Benth. var. aucheri, fam. Lamiaceae (Labiatae) 0.1%
Salvia aucheri (Turkey) 1b var. canenscens Salvia aucheri Benth. var. canenscens, fam. Lamiaceae (Labiatae) 0.05%