Hexacosane

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  • Identifiers

    CAS number
    630-01-3

    Molecular formula
    C26H54

    SMILES
    CCCCCCCCCCCCCCCCCCCCCCCCCC

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 2600.0
    • Carbowax: 2600.0

  • Odor profile

    Waxy 85.71%
    Fatty 37.49%
    Oily 30.98%
    Odorless 24.68%
    Fishy 17.07%
    Meaty 14.62%
    Sweet 14.03%
    Savory 12.99%
    Burnt 11.89%
    Gassy 11.8%

    Scent© AI

  • Properties

    XLogP3-AA
    13.7

    Molecular weight
    366.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 133.5 °F (NTP, 1992)
    • 56.09 °C

    Boiling point

    • 774 °F at 760 mmHg (NTP, 1992)
    • 415 °C

    Flash point est.
    207.54 ˚C

    Solubility expt.

    • Very soluble in benzene, ligroin, chloroform

  • Synonyms

    • HEXACOSANE
    • n-Hexacosane
    • 630-01-3
    • CH3-[CH2]24-CH3
    • HEXACOSANE, N-
    • EINECS 211-124-1
    • UNII-0CI4OKE9VO
    • MFCD00009354
    • 0CI4OKE9VO
    • NSC-122457
    • DTXSID7060883
    • CHEBI:32940
    • HSDB 8356
    • Pentacosane, methyl-
    • CH3-(CH2)24-CH3
    • Hexacosane; NSC 122457; n-Hexacosane
    • nHexacosane
    • Hexacosane, n
    • Hexacosane, 99%
    • NSC 122457
    • n-Hexacosane 100 microg/mL in Hexane
    • Hexacosane, analytical standard
    • DTXCID3043601
    • AAA63001
    • LMFA11000576
    • NSC122457
    • AKOS015902503
    • HY-W131352
    • AS-56386
    • DB-054366
    • CS-0197342
    • H0050
    • NS00010788
    • D90786
    • Q151016
    • CC0EF1C1-42C8-4428-AB5A-41E9C6A177E7
    • 211-124-1

  • Applications

    Hexacosane (C26H54, CAS 630-01-3) is a straight-chain paraffin with a mid-range melting point and very low reactivity, broadly used as: (1) a reference/standard for GC and GC–MS to build n-alkane retention-index ladders; (2) a phase-change material for latent-heat thermal energy storage in building envelopes, thermal packaging, smart textiles, and electronics, often microencapsulated or impregnated into foams/polymers; (3) a wax-phase component in candles, polishes, moisture/corrosion barriers, and hydrophobic coatings; (4) a lubricant additive and flowability/pour-point modifier in fuels and crude oils, and a model compound for wax precipitation and flow-assurance studies; (5) a substrate/model in research on pyrolysis, combustion, adsorption on zeolites, hydrocarbon–surface interactions, and crystallization; (6) a polymer blending/processing aid to tune hardness, slip, and mold release; (7) a geochemical/petroleum standard to characterize n-alkane distributions; its inertness, suitable melting range, and high purity make it versatile across analytical, energy, and materials applications.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4.45
    methanol 2.54
    isopropanol 8.55
    water 0.01
    ethyl acetate 165.59
    n-propanol 11.68
    acetone 60.14
    n-butanol 20.72
    acetonitrile 11.04
    DMF 64.42
    toluene 97.14
    isobutanol 18.15
    1,4-dioxane 185.87
    methyl acetate 73.93
    THF 582.61
    2-butanone 108.3
    n-pentanol 18.59
    sec-butanol 22.4
    n-hexane 77.5
    ethylene glycol 0.4
    NMP 352.7
    cyclohexane 448.09
    DMSO 99.74
    n-butyl acetate 370.38
    n-octanol 57.18
    chloroform 423.66
    n-propyl acetate 222.12
    acetic acid 15.6
    dichloromethane 390.41
    cyclohexanone 487.78
    propylene glycol 1.61
    isopropyl acetate 231.34
    DMAc 201.95
    2-ethoxyethanol 32.06
    isopentanol 37.9
    n-heptane 269.37
    ethyl formate 42.32
    1,2-dichloroethane 284.82
    n-hexanol 35.59
    2-methoxyethanol 26.62
    isobutyl acetate 206.7
    tetrachloromethane 192.89
    n-pentyl acetate 424.79
    transcutol 357.48
    n-heptanol 48.24
    ethylbenzene 84.37
    MIBK 198.1
    2-propoxyethanol 60.96
    tert-butanol 36.57
    MTBE 163.29
    2-butoxyethanol 88.48
    propionic acid 25.45
    o-xylene 116.23
    formic acid 1.59
    diethyl ether 119.45
    m-xylene 91.94
    p-xylene 130.62
    chlorobenzene 149.63
    dimethyl carbonate 39.85
    n-octane 82.32
    formamide 3.42
    cyclopentanone 454.02
    2-pentanone 155.18
    anisole 144.93
    cyclopentyl methyl ether 493.36
    gamma-butyrolactone 358.58
    1-methoxy-2-propanol 42.13
    pyridine 153.44
    3-pentanone 178.99
    furfural 190.6
    n-dodecane 28.66
    diethylene glycol 12.55
    diisopropyl ether 152.87
    tert-amyl alcohol 63.1
    acetylacetone 227.68
    n-hexadecane 37.21
    acetophenone 180.31
    methyl propionate 109.09
    isopentyl acetate 430.94
    trichloroethylene 458.31
    n-nonanol 72.45
    cyclohexanol 101.53
    benzyl alcohol 38.22
    2-ethylhexanol 107.12
    isooctanol 73.27
    dipropyl ether 571.03
    1,2-dichlorobenzene 220.48
    ethyl lactate 59.16
    propylene carbonate 247.26
    n-methylformamide 12.81
    2-pentanol 31.63
    n-pentane 43.46
    1-propoxy-2-propanol 138.08
    1-methoxy-2-propyl acetate 314.51
    2-(2-methoxypropoxy) propanol 127.55
    mesitylene 106.49
    ε-caprolactone 423.04
    p-cymene 175.0
    epichlorohydrin 331.05
    1,1,1-trichloroethane 536.56
    2-aminoethanol 1.98
    morpholine-4-carbaldehyde 204.37
    sulfolane 674.18
    2,2,4-trimethylpentane 61.25
    2-methyltetrahydrofuran 486.67
    n-hexyl acetate 344.94
    isooctane 40.09
    2-(2-butoxyethoxy)ethanol 139.03
    sec-butyl acetate 264.4
    tert-butyl acetate 438.84
    decalin 142.46
    glycerin 3.59
    diglyme 474.68
    acrylic acid 14.69
    isopropyl myristate 202.02
    n-butyric acid 82.4
    acetyl acetate 141.09
    di(2-ethylhexyl) phthalate 81.38
    ethyl propionate 236.43
    nitromethane 45.68
    1,2-diethoxyethane 411.35
    benzonitrile 64.42
    trioctyl phosphate 75.01
    1-bromopropane 234.47
    gamma-valerolactone 395.8
    n-decanol 49.16
    triethyl phosphate 315.68
    4-methyl-2-pentanol 39.08
    propionitrile 24.07
    vinylene carbonate 144.45
    1,1,2-trichlorotrifluoroethane 169.06
    DMS 159.16
    cumene 80.21
    2-octanol 59.14
    2-hexanone 183.41
    octyl acetate 175.84
    limonene 383.43
    1,2-dimethoxyethane 209.55
    ethyl orthosilicate 348.87
    tributyl phosphate 117.26
    diacetone alcohol 182.58
    N,N-dimethylaniline 137.47
    acrylonitrile 18.64
    aniline 58.7
    1,3-propanediol 6.74
    bromobenzene 232.45
    dibromomethane 295.69
    1,1,2,2-tetrachloroethane 543.04
    2-methyl-cyclohexyl acetate 427.24
    tetrabutyl urea 182.98
    diisobutyl methanol 155.9
    2-phenylethanol 53.02
    styrene 89.21
    dioctyl adipate 255.46
    dimethyl sulfate 113.08
    ethyl butyrate 558.83
    methyl lactate 30.55
    butyl lactate 161.7
    diethyl carbonate 289.72
    propanediol butyl ether 44.7
    triethyl orthoformate 569.24
    p-tert-butyltoluene 174.31
    methyl 4-tert-butylbenzoate 273.18
    morpholine 178.18
    tert-butylamine 38.36
    n-dodecanol 38.36
    dimethoxymethane 85.73
    ethylene carbonate 157.08
    cyrene 126.57
    2-ethoxyethyl acetate 319.03
    2-ethylhexyl acetate 459.46
    1,2,4-trichlorobenzene 254.47
    4-methylpyridine 161.17
    dibutyl ether 468.35
    2,6-dimethyl-4-heptanol 155.9
    DEF 224.63
    dimethyl isosorbide 459.18
    tetrachloroethylene 325.16
    eugenol 125.35
    triacetin 342.66
    span 80 123.26
    1,4-butanediol 3.11
    1,1-dichloroethane 236.03
    2-methyl-1-pentanol 37.0
    methyl formate 14.03
    2-methyl-1-butanol 34.42
    n-decane 76.7
    butyronitrile 41.51
    3,7-dimethyl-1-octanol 107.26
    1-chlorooctane 196.28
    1-chlorotetradecane 65.55
    n-nonane 80.53
    undecane 42.93
    tert-butylcyclohexane 103.38
    cyclooctane 173.69
    cyclopentanol 86.45
    tetrahydropyran 388.19
    tert-amyl methyl ether 223.36
    2,5,8-trioxanonane 266.31
    1-hexene 86.74
    2-isopropoxyethanol 46.09
    2,2,2-trifluoroethanol 11.3
    methyl butyrate 283.69

    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 0.81%
Seafennel 89997-98-8 Crithmum maritimum L., fam. Apiaceae (Umbelliferae) 0.55%
Daphne genkwa Daphne genkwa Sieb. et Zucc., fam. Thymelaeaceae 0.01%
Rosa centifolia (Poland) Rosa centifolia L., fam. Rosaceae 0.6%
Fagraea berteriana flower Fagraea berteriana A. Gray ex Benth., fam. Potaliaceae 0.11%
Sideritis condensata Sideritis condensata Boiss. et Heldr., fam. Lamiaceae (Labiatae) 0.04%
Rose (Bulgaria) 4b 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.5%
Rose (Bulgaria) 4c 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.2%
Mullilam leaf (India) Zanthoxylum rhetsa D.C. syn. Z. limonella (Dennst.) Alston, fam. Rutaceae 0.5%
Acacia caven flower Acacia caven (Mol.) Mol., fam. Mimosaceae (Leguminosae) 0.2%
Carapa guianensis Carapa guianensis Aubl., fam. Meliaceae 0.05%
Rocket leaf 1 Eruca sativa L., fam. Brassicaceae 1.02%