Dotriacontane

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  • Identifiers

    CAS number
    544-85-4

    Molecular formula
    C32H66

    SMILES
    CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC

  • Odor profile

    Waxy 86.35%
    Fatty 38.55%
    Oily 30.51%
    Odorless 25.47%
    Fishy 16.91%
    Meaty 13.88%
    Savory 12.71%
    Sweet 11.93%
    Burnt 11.42%
    Animal 10.69%

    Scent© AI

  • Properties

    XLogP3-AA
    16.9

    Molecular weight
    450.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 69.7 °C
    • 74 - 75 °C

    Boiling point

    • 470 °C
    • 466.00 to 467.00 °C. @ 760.00 mm Hg

    Flash point est.
    254.72 ˚C

    Solubility expt.

    • Insoluble in water
    • Slightly soluble in ethanol, chloroform; soluble in ether, carbon tetrachloride; very soluble in benzene

  • Synonyms

    • DOTRIACONTANE
    • 544-85-4
    • n-Dotriacontane
    • Bicetyl
    • NSC 6361
    • EINECS 208-881-5
    • UNII-7KSV90RN23
    • MFCD00009411
    • BRN 1783260
    • 7KSV90RN23
    • AI3-52367
    • NSC-6361
    • DTXSID5052202
    • CHEBI:36020
    • HSDB 8362
    • 4-01-00-00595 (Beilstein Handbook Reference)
    • n-Dotriacontane 100 microg/mL in n-Hexane
    • CH3-(CH2)30-CH3
    • CH3-[CH2]30-CH3
    • DICETYL
    • Dotriacontane; Bicetyl; NSC 6361; n-Dotriacontane
    • Lacceran
    • Dotriacontane, n-
    • Dotriacontane, 97%
    • WLN: 32H
    • DTXCID7030773
    • NSC6361
    • Dotriacontane, analytical standard
    • HY-N9600
    • LMFA11000570
    • N-C-32
    • AKOS015903563
    • AS-10468
    • FD176905
    • SY012852
    • DB-052589
    • CS-0201505
    • D0998
    • NS00010777
    • D89756
    • M01641
    • Q151123
    • B8926297-132A-4B5D-B9C2-294F3F006246
    • 208-881-5

  • Applications

    Dotriacontane (C32H66, CAS 544-85-4) is a high-melting, low-volatility, highly hydrophobic straight-chain alkane; in practice it is widely used as an n-alkane standard in gas chromatography for retention index/Kovats calibration and column performance checks, as a reference in DSC/FTIR, in studies of wax crystallization and crude-oil pour-point depressants, as a phase-change thermal storage material, and as a waxy additive in lubricants, greases, and coatings to enhance consistency, thermal stability, water repellency, and release; in surface science it forms crystalline lamellae on substrates such as HOPG for AFM imaging, boundary-friction studies, and hydrophobic model surfaces; additionally, owing to its purity and inertness, formulators use it as a structural component in stick/balm cosmetics and protective films, or blend it with paraffins to tune melting point and processing behavior in materials, textiles, and packaging.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.9
    methanol 1.25
    isopropanol 3.13
    water 0.01
    ethyl acetate 79.37
    n-propanol 4.9
    acetone 27.02
    n-butanol 8.21
    acetonitrile 4.71
    DMF 34.13
    toluene 48.77
    isobutanol 7.59
    1,4-dioxane 90.86
    methyl acetate 37.31
    THF 291.87
    2-butanone 52.59
    n-pentanol 8.37
    sec-butanol 9.01
    n-hexane 30.57
    ethylene glycol 0.22
    NMP 234.25
    cyclohexane 167.24
    DMSO 52.72
    n-butyl acetate 168.9
    n-octanol 27.63
    chloroform 252.16
    n-propyl acetate 106.05
    acetic acid 9.04
    dichloromethane 223.58
    cyclohexanone 260.48
    propylene glycol 0.82
    isopropyl acetate 110.73
    DMAc 126.94
    2-ethoxyethanol 15.84
    isopentanol 15.13
    n-heptane 97.73
    ethyl formate 21.12
    1,2-dichloroethane 146.02
    n-hexanol 14.09
    2-methoxyethanol 12.96
    isobutyl acetate 97.3
    tetrachloromethane 102.89
    n-pentyl acetate 225.63
    transcutol 191.58
    n-heptanol 23.38
    ethylbenzene 39.9
    MIBK 91.57
    2-propoxyethanol 28.77
    tert-butanol 13.1
    MTBE 70.43
    2-butoxyethanol 48.11
    propionic acid 13.44
    o-xylene 59.35
    formic acid 1.13
    diethyl ether 45.36
    m-xylene 45.82
    p-xylene 63.98
    chlorobenzene 83.68
    dimethyl carbonate 24.24
    n-octane 36.34
    formamide 2.22
    cyclopentanone 248.64
    2-pentanone 70.6
    anisole 72.22
    cyclopentyl methyl ether 249.52
    gamma-butyrolactone 209.61
    1-methoxy-2-propanol 20.2
    pyridine 81.64
    3-pentanone 90.34
    furfural 115.19
    n-dodecane 13.26
    diethylene glycol 6.31
    diisopropyl ether 63.89
    tert-amyl alcohol 26.49
    acetylacetone 122.56
    n-hexadecane 17.32
    acetophenone 98.02
    methyl propionate 58.76
    isopentyl acetate 208.01
    trichloroethylene 267.13
    n-nonanol 35.85
    cyclohexanol 44.14
    benzyl alcohol 19.1
    2-ethylhexanol 45.41
    isooctanol 35.62
    dipropyl ether 235.14
    1,2-dichlorobenzene 129.85
    ethyl lactate 31.58
    propylene carbonate 149.07
    n-methylformamide 7.25
    2-pentanol 12.14
    n-pentane 16.21
    1-propoxy-2-propanol 63.49
    1-methoxy-2-propyl acetate 165.14
    2-(2-methoxypropoxy) propanol 72.38
    mesitylene 54.05
    ε-caprolactone 245.24
    p-cymene 86.01
    epichlorohydrin 187.15
    1,1,1-trichloroethane 283.54
    2-aminoethanol 1.01
    morpholine-4-carbaldehyde 121.16
    sulfolane 430.41
    2,2,4-trimethylpentane 30.3
    2-methyltetrahydrofuran 242.6
    n-hexyl acetate 182.52
    isooctane 17.03
    2-(2-butoxyethoxy)ethanol 75.68
    sec-butyl acetate 128.47
    tert-butyl acetate 225.55
    decalin 67.47
    glycerin 1.98
    diglyme 269.33
    acrylic acid 8.46
    isopropyl myristate 102.78
    n-butyric acid 41.22
    acetyl acetate 80.33
    di(2-ethylhexyl) phthalate 45.7
    ethyl propionate 117.88
    nitromethane 26.15
    1,2-diethoxyethane 202.18
    benzonitrile 32.09
    trioctyl phosphate 39.53
    1-bromopropane 108.76
    gamma-valerolactone 239.23
    n-decanol 23.3
    triethyl phosphate 183.07
    4-methyl-2-pentanol 15.92
    propionitrile 10.28
    vinylene carbonate 89.98
    1,1,2-trichlorotrifluoroethane 107.06
    DMS 93.59
    cumene 39.81
    2-octanol 28.19
    2-hexanone 85.59
    octyl acetate 87.45
    limonene 184.03
    1,2-dimethoxyethane 101.9
    ethyl orthosilicate 199.36
    tributyl phosphate 64.14
    diacetone alcohol 90.95
    N,N-dimethylaniline 73.26
    acrylonitrile 8.77
    aniline 29.59
    1,3-propanediol 3.18
    bromobenzene 133.08
    dibromomethane 161.77
    1,1,2,2-tetrachloroethane 313.04
    2-methyl-cyclohexyl acetate 233.53
    tetrabutyl urea 100.61
    diisobutyl methanol 66.95
    2-phenylethanol 25.42
    styrene 42.64
    dioctyl adipate 141.53
    dimethyl sulfate 77.93
    ethyl butyrate 271.7
    methyl lactate 17.68
    butyl lactate 92.83
    diethyl carbonate 147.35
    propanediol butyl ether 24.51
    triethyl orthoformate 301.12
    p-tert-butyltoluene 87.36
    methyl 4-tert-butylbenzoate 168.47
    morpholine 87.28
    tert-butylamine 13.71
    n-dodecanol 17.84
    dimethoxymethane 43.6
    ethylene carbonate 93.72
    cyrene 79.22
    2-ethoxyethyl acetate 183.09
    2-ethylhexyl acetate 231.81
    1,2,4-trichlorobenzene 157.98
    4-methylpyridine 84.33
    dibutyl ether 221.36
    2,6-dimethyl-4-heptanol 66.95
    DEF 113.4
    dimethyl isosorbide 288.63
    tetrachloroethylene 182.81
    eugenol 76.17
    triacetin 203.89
    span 80 68.38
    1,4-butanediol 1.58
    1,1-dichloroethane 116.29
    2-methyl-1-pentanol 16.77
    methyl formate 8.18
    2-methyl-1-butanol 15.09
    n-decane 36.93
    butyronitrile 16.77
    3,7-dimethyl-1-octanol 50.51
    1-chlorooctane 95.66
    1-chlorotetradecane 31.12
    n-nonane 37.7
    undecane 20.34
    tert-butylcyclohexane 49.02
    cyclooctane 74.46
    cyclopentanol 38.9
    tetrahydropyran 176.66
    tert-amyl methyl ether 109.25
    2,5,8-trioxanonane 152.92
    1-hexene 35.04
    2-isopropoxyethanol 22.08
    2,2,2-trifluoroethanol 7.52
    methyl butyrate 139.08

    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) 0.26%
Sage, spanish 2 8016-65-7 Salvia lavandulaefolia Vahl., fam. Lamiaceae (Labiatae) 1.0%