Triacontane

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  • Identifiers

    CAS number
    638-68-6

    Molecular formula
    C30H62

    SMILES
    CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC

    Retention indicies (RI)

    • DB5: 3000.0
    • Carbowax: 3000.0

  • Odor profile

    Waxy 86.2%
    Fatty 38.32%
    Oily 30.69%
    Odorless 25.27%
    Fishy 16.97%
    Meaty 14.12%
    Savory 12.81%
    Sweet 12.48%
    Burnt 11.56%
    Animal 10.87%

    Scent© AI

  • Properties

    XLogP3-AA
    15.8

    Molecular weight
    422.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 150.4 °F (NTP, 1992)
    • 65.9 °C

    Boiling point

    • 841.5 °F at 760 mmHg (NTP, 1992)
    • 451 °C

    Flash point est.
    239.14 ˚C

    Solubility expt.

    • Insoluble in water
    • Soluble in ether; slightly soluble in ethanol; very soluble in benzene

  • Synonyms

    • TRIACONTANE
    • n-Triacontane
    • 638-68-6
    • CHEBI:31006
    • UNII-47A73V7096
    • EINECS 211-349-5
    • MFCD00009410
    • NSC 158661
    • NSC-158661
    • 47A73V7096
    • DTXSID0060935
    • HSDB 8360
    • Triacontane, analytical standard
    • CH3-(CH2)28-CH3
    • CH3-[CH2]28-CH3
    • Triacontane; NSC 158661; n-Triacontane
    • Triacontane, 98%
    • n-Triacontane 100 microg/mL in Hexane
    • CHEMBL1482375
    • DTXCID9044110
    • LMFA11000588
    • N-C-30
    • NSC158661
    • STL564700
    • AKOS024257521
    • HY-W142855
    • NCGC00165977-01
    • AS-48050
    • DB-054569
    • CS-0204888
    • NS00010795
    • T0594
    • F17598
    • Q151058
    • A387C655-6236-4AC5-80E3-45EDC0B765D1
    • 211-349-5

  • Applications

    Triacontane (CAS 638-68-6) is a straight-chain C30 alkane used widely as a hydrocarbon standard in gas chromatography (Kovats retention index calibration, carbon-number marking), as a reference material for FTIR/DSC and for studies of alkane crystallization/phase transitions; industrially it serves as a high–melting point, hardness-boosting component in paraffin–wax blends (candles, polishes, moisture and corrosion barrier coatings for paper/packaging, hot-melt adhesive modifiers), as a boundary lubricant and mold-release aid for plastics/rubber, and as a hydrophobic film former; with a melting range around 65–67°C and high latent heat, triacontane is employed as a phase-change material for thermal energy storage (microencapsulated for thermoregulating textiles, building materials, solar-thermal recovery, and thermal buffering of devices); in cosmetics/personal care it functions as an emollient and occlusive agent, a viscosity/structure builder in anhydrous sticks and balms, improving payoff and gloss; it is also used as a model system for self-assembly on flat substrates (graphite/mica) in STM/AFM and as a substrate compound in combustion/pyrolysis kinetics of long-chain hydrocarbons.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.32
    methanol 1.49
    isopropanol 4.0
    water 0.01
    ethyl acetate 94.1
    n-propanol 5.99
    acetone 32.59
    n-butanol 10.29
    acetonitrile 5.85
    DMF 39.47
    toluene 56.6
    isobutanol 9.36
    1,4-dioxane 107.91
    methyl acetate 43.97
    THF 343.0
    2-butanone 61.98
    n-pentanol 10.05
    sec-butanol 11.21
    n-hexane 38.23
    ethylene glycol 0.25
    NMP 257.42
    cyclohexane 215.47
    DMSO 62.31
    n-butyl acetate 204.44
    n-octanol 33.32
    chloroform 287.61
    n-propyl acetate 127.88
    acetic acid 10.37
    dichloromethane 255.48
    cyclohexanone 303.86
    propylene glycol 0.97
    isopropyl acetate 131.6
    DMAc 142.1
    2-ethoxyethanol 18.8
    isopentanol 18.96
    n-heptane 126.6
    ethyl formate 25.07
    1,2-dichloroethane 172.01
    n-hexanol 17.5
    2-methoxyethanol 15.49
    isobutyl acetate 118.01
    tetrachloromethane 120.81
    n-pentyl acetate 265.75
    transcutol 224.8
    n-heptanol 28.05
    ethylbenzene 47.56
    MIBK 110.73
    2-propoxyethanol 34.47
    tert-butanol 16.92
    MTBE 86.15
    2-butoxyethanol 56.01
    propionic acid 15.77
    o-xylene 69.23
    formic acid 1.24
    diethyl ether 57.16
    m-xylene 53.52
    p-xylene 75.86
    chlorobenzene 95.24
    dimethyl carbonate 27.14
    n-octane 44.89
    formamide 2.49
    cyclopentanone 286.73
    2-pentanone 84.56
    anisole 84.84
    cyclopentyl methyl ether 293.65
    gamma-butyrolactone 236.83
    1-methoxy-2-propanol 24.15
    pyridine 94.16
    3-pentanone 105.63
    furfural 130.27
    n-dodecane 16.21
    diethylene glycol 7.45
    diisopropyl ether 78.94
    tert-amyl alcohol 32.7
    acetylacetone 141.62
    n-hexadecane 21.17
    acetophenone 113.98
    methyl propionate 67.64
    isopentyl acetate 249.71
    trichloroethylene 303.72
    n-nonanol 42.92
    cyclohexanol 54.15
    benzyl alcohol 22.57
    2-ethylhexanol 55.94
    isooctanol 42.76
    dipropyl ether 293.01
    1,2-dichlorobenzene 147.09
    ethyl lactate 36.99
    propylene carbonate 167.51
    n-methylformamide 8.29
    2-pentanol 15.19
    n-pentane 20.52
    1-propoxy-2-propanol 77.53
    1-methoxy-2-propyl acetate 193.6
    2-(2-methoxypropoxy) propanol 83.06
    mesitylene 63.28
    ε-caprolactone 279.69
    p-cymene 102.99
    epichlorohydrin 212.36
    1,1,1-trichloroethane 332.27
    2-aminoethanol 1.19
    morpholine-4-carbaldehyde 136.14
    sulfolane 481.59
    2,2,4-trimethylpentane 36.17
    2-methyltetrahydrofuran 287.51
    n-hexyl acetate 214.57
    isooctane 21.08
    2-(2-butoxyethoxy)ethanol 88.5
    sec-butyl acetate 153.81
    tert-butyl acetate 266.42
    decalin 81.76
    glycerin 2.29
    diglyme 312.59
    acrylic acid 9.69
    isopropyl myristate 122.72
    n-butyric acid 49.07
    acetyl acetate 91.76
    di(2-ethylhexyl) phthalate 52.95
    ethyl propionate 139.05
    nitromethane 29.94
    1,2-diethoxyethane 242.64
    benzonitrile 38.29
    trioctyl phosphate 46.39
    1-bromopropane 130.46
    gamma-valerolactone 269.0
    n-decanol 28.23
    triethyl phosphate 211.16
    4-methyl-2-pentanol 19.84
    propionitrile 12.54
    vinylene carbonate 100.86
    1,1,2-trichlorotrifluoroethane 119.71
    DMS 105.91
    cumene 47.15
    2-octanol 34.06
    2-hexanone 103.16
    octyl acetate 104.52
    limonene 220.24
    1,2-dimethoxyethane 122.07
    ethyl orthosilicate 231.32
    tributyl phosphate 75.13
    diacetone alcohol 107.55
    N,N-dimethylaniline 85.28
    acrylonitrile 10.54
    aniline 34.96
    1,3-propanediol 3.82
    bromobenzene 150.98
    dibromomethane 187.0
    1,1,2,2-tetrachloroethane 356.79
    2-methyl-cyclohexyl acetate 271.41
    tetrabutyl urea 118.13
    diisobutyl methanol 83.17
    2-phenylethanol 30.38
    styrene 50.74
    dioctyl adipate 165.44
    dimethyl sulfate 84.51
    ethyl butyrate 326.38
    methyl lactate 20.04
    butyl lactate 106.8
    diethyl carbonate 174.11
    propanediol butyl ether 28.54
    triethyl orthoformate 354.55
    p-tert-butyltoluene 103.44
    methyl 4-tert-butylbenzoate 190.21
    morpholine 103.5
    tert-butylamine 17.67
    n-dodecanol 21.71
    dimethoxymethane 50.87
    ethylene carbonate 105.98
    cyrene 89.29
    2-ethoxyethyl acetate 210.01
    2-ethylhexyl acetate 275.06
    1,2,4-trichlorobenzene 176.94
    4-methylpyridine 97.81
    dibutyl ether 268.7
    2,6-dimethyl-4-heptanol 83.17
    DEF 133.2
    dimethyl isosorbide 324.72
    tetrachloroethylene 211.51
    eugenol 86.62
    triacetin 232.93
    span 80 79.13
    1,4-butanediol 1.86
    1,1-dichloroethane 138.65
    2-methyl-1-pentanol 20.34
    methyl formate 9.3
    2-methyl-1-butanol 18.38
    n-decane 44.59
    butyronitrile 20.87
    3,7-dimethyl-1-octanol 61.18
    1-chlorooctane 115.18
    1-chlorotetradecane 37.75
    n-nonane 45.95
    undecane 24.69
    tert-butylcyclohexane 58.97
    cyclooctane 92.08
    cyclopentanol 47.6
    tetrahydropyran 214.01
    tert-amyl methyl ether 130.72
    2,5,8-trioxanonane 177.16
    1-hexene 43.41
    2-isopropoxyethanol 26.56
    2,2,2-trifluoroethanol 8.39
    methyl butyrate 165.58

    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
Seafennel 89997-98-8 Crithmum maritimum L., fam. Apiaceae (Umbelliferae) 0.51%
Mochiyuzu peel (Japan) Citrus inflata Hort. ex Tanaka, fam. Rutaceae 0.01%
Fennel, bitter (Spain) 2 8006-84-6 Foeniculum vulgare Miller, var. vulgare DC, fam. Apiaceae (Umbelliferae) 0.5%
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) 0.2%
Oregano, mexican (Guatemala) Lippia graveolens HBK., fam. Verbenaceae 0.05%
Rocket leaf 1 Eruca sativa L., fam. Brassicaceae 0.16%