Eicosane

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  • Identifiers

    CAS number
    112-95-8

    Molecular formula
    C20H42

    SMILES
    CCCCCCCCCCCCCCCCCCCC

    Safety labels

    Health Hazard
    Health

    Retention indicies (RI)

    • DB5: 2000.0
    • Carbowax: 2000.0

  • Odor profile

    Waxy 83.7%
    Fatty 33.92%
    Oily 30.67%
    Odorless 22.74%
    Sweet 19.03%
    Fishy 17.18%
    Gassy 16.79%
    Meaty 15.16%
    Clean 13.15%
    Savory 13.01%

    Scent© AI

  • Properties

    XLogP3-AA
    10.4

    Molecular weight
    282.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 98.1 °F (NTP, 1992)
    • 36.48 °C

    Boiling point

    • 648.9 °F at 760 mmHg (NTP, 1992)
    • 344.1 °C
    • BP: 220 °C at 30 mm Hg

    Flash point est.
    161.7 ˚C

    Flash point expt.

    • 212 °F (NTP, 1992)
    • > 113.00 °C (> 235.40 °F) - closed cup

    Solubility expt.

    • less than 1 mg/mL at 77 °F (NTP, 1992)
    • In water, 1.9X10-3 mg/L at 25 °C
    • Insoluble in water
    • Soluble in ether, petroleum ether, benzene; slightly soluble in chloroform; very soluble acetone

  • Synonyms

    • EICOSANE
    • n-Eicosane
    • 112-95-8
    • Icosane
    • n-icosane
    • CCRIS 663
    • octyldodecane
    • UNII-3AYA9KEC48
    • EINECS 204-018-1
    • 3AYA9KEC48
    • MFCD00009344
    • NSC 62789
    • AI3-28404
    • PARAFOL 20Z
    • NSC-62789
    • DTXSID1025227
    • CHEBI:43619
    • HSDB 8350
    • EC 204-018-1
    • Eicosane, analytical standard
    • Nonadecane, methyl-
    • Eicosane; MPCM 37; NSC 62789; Parafol 20Z; n-Eicosane
    • Icosane #
    • DIDECYL
    • Eicosane, 99%
    • NCIOpen2_003284
    • DTXCID305227
    • QSPL 044
    • QSPL 050
    • QSPL 140
    • CH3-(CH2)18-CH3
    • NSC62789
    • LMFA11000571
    • AKOS015843175
    • HY-W094847
    • AS-56022
    • SY009966
    • DB-041142
    • CS-0146759
    • E0003
    • NS00010719
    • G77323
    • Q150925
    • C4A12DC5-1A2F-4399-88BF-8A6222A7DF7E
    • 204-018-1
    • InChI=1/C20H42/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H

  • Applications

    Eicosane (n-eicosane, C20H42, CAS 112-95-8) is a waxy straight-chain alkane with a melting point near 37 °C, widely used as a phase-change material (PCM) for thermal energy storage and temperature regulation in building materials, thermal panels and concrete, microencapsulated paints and plasters, smart textiles and heat-retaining garments, cold-chain pharmaceutical packaging, and thermal buffering of sensors and electronics, as well as in solar heat recovery and HVAC systems; it is also a component of paraffin and candles, a hydrophobic coating/lubricant providing moisture barriers and mild corrosion protection for metals, paper, and wood, a viscosity modifier and emollient in some cosmetic/personal-care formulations, a normal-alkane reference for gas chromatography and Kovats retention indices, a calibration/control material for DSC and TGA in phase-transition studies, a model substrate for research on microencapsulation, wetting, crystallization, and long-chain hydrocarbon combustion kinetics, and a convenient teaching material for labs on latent heat and thermal cycles.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 30.98
    methanol 12.74
    isopropanol 66.49
    water 0.0
    ethyl acetate 786.79
    n-propanol 75.08
    acetone 333.64
    n-butanol 136.74
    acetonitrile 65.28
    DMF 262.8
    toluene 596.64
    isobutanol 110.01
    1,4-dioxane 843.28
    methyl acetate 326.54
    THF 2475.73
    2-butanone 528.03
    n-pentanol 110.66
    sec-butanol 141.06
    n-hexane 692.58
    ethylene glycol 1.78
    NMP 895.16
    cyclohexane 2936.36
    DMSO 336.96
    n-butyl acetate 1938.49
    n-octanol 235.26
    chloroform 1471.34
    n-propyl acetate 941.67
    acetic acid 55.95
    dichloromethane 1379.58
    cyclohexanone 1917.9
    propylene glycol 7.52
    isopropyl acetate 1019.69
    DMAc 544.32
    2-ethoxyethanol 128.99
    isopentanol 241.69
    n-heptane 2220.41
    ethyl formate 183.73
    1,2-dichloroethane 1199.94
    n-hexanol 265.33
    2-methoxyethanol 120.05
    isobutyl acetate 829.69
    tetrachloromethane 663.91
    n-pentyl acetate 1289.19
    transcutol 1158.73
    n-heptanol 224.24
    ethylbenzene 458.68
    MIBK 910.66
    2-propoxyethanol 312.96
    tert-butanol 256.9
    MTBE 973.15
    2-butoxyethanol 313.32
    propionic acid 99.18
    o-xylene 552.25
    formic acid 3.47
    diethyl ether 944.8
    m-xylene 491.14
    p-xylene 654.12
    chlorobenzene 631.89
    dimethyl carbonate 137.6
    n-octane 486.24
    formamide 8.66
    cyclopentanone 1662.37
    2-pentanone 836.64
    anisole 609.95
    cyclopentyl methyl ether 2171.37
    gamma-butyrolactone 1180.86
    1-methoxy-2-propanol 195.3
    pyridine 718.51
    3-pentanone 818.09
    furfural 582.65
    n-dodecane 146.95
    diethylene glycol 59.22
    diisopropyl ether 874.24
    tert-amyl alcohol 339.03
    acetylacetone 868.36
    n-hexadecane 189.84
    acetophenone 629.2
    methyl propionate 447.3
    isopentyl acetate 1930.31
    trichloroethylene 1627.47
    n-nonanol 276.96
    cyclohexanol 538.13
    benzyl alcohol 165.44
    2-ethylhexanol 666.09
    isooctanol 312.6
    dipropyl ether 3383.4
    1,2-dichlorobenzene 768.92
    ethyl lactate 193.78
    propylene carbonate 773.94
    n-methylformamide 50.55
    2-pentanol 225.49
    n-pentane 419.58
    1-propoxy-2-propanol 663.48
    1-methoxy-2-propyl acetate 1206.58
    2-(2-methoxypropoxy) propanol 384.94
    mesitylene 510.97
    ε-caprolactone 1398.75
    p-cymene 770.52
    epichlorohydrin 1223.64
    1,1,1-trichloroethane 1946.07
    2-aminoethanol 9.46
    morpholine-4-carbaldehyde 619.26
    sulfolane 1746.03
    2,2,4-trimethylpentane 296.85
    2-methyltetrahydrofuran 2160.09
    n-hexyl acetate 1108.15
    isooctane 249.75
    2-(2-butoxyethoxy)ethanol 457.5
    sec-butyl acetate 1011.49
    tert-butyl acetate 1604.93
    decalin 710.81
    glycerin 13.17
    diglyme 1388.72
    acrylic acid 52.16
    isopropyl myristate 705.11
    n-butyric acid 340.27
    acetyl acetate 521.55
    di(2-ethylhexyl) phthalate 255.21
    ethyl propionate 967.92
    nitromethane 151.93
    1,2-diethoxyethane 1753.22
    benzonitrile 293.64
    trioctyl phosphate 257.33
    1-bromopropane 1313.2
    gamma-valerolactone 1204.35
    n-decanol 199.38
    triethyl phosphate 903.7
    4-methyl-2-pentanol 235.34
    propionitrile 158.35
    vinylene carbonate 418.77
    1,1,2-trichlorotrifluoroethane 486.36
    DMS 502.86
    cumene 388.56
    2-octanol 257.51
    2-hexanone 812.07
    octyl acetate 611.09
    limonene 1658.86
    1,2-dimethoxyethane 837.71
    ethyl orthosilicate 1009.58
    tributyl phosphate 381.11
    diacetone alcohol 695.81
    N,N-dimethylaniline 539.4
    acrylonitrile 103.9
    aniline 283.73
    1,3-propanediol 32.89
    bromobenzene 964.59
    dibromomethane 1180.79
    1,1,2,2-tetrachloroethane 1877.52
    2-methyl-cyclohexyl acetate 1388.93
    tetrabutyl urea 553.98
    diisobutyl methanol 832.77
    2-phenylethanol 250.91
    styrene 473.68
    dioctyl adipate 770.17
    dimethyl sulfate 287.57
    ethyl butyrate 2319.08
    methyl lactate 101.89
    butyl lactate 467.66
    diethyl carbonate 1096.3
    propanediol butyl ether 146.74
    triethyl orthoformate 1955.12
    p-tert-butyltoluene 777.85
    methyl 4-tert-butylbenzoate 737.42
    morpholine 845.33
    tert-butylamine 308.4
    n-dodecanol 169.15
    dimethoxymethane 371.75
    ethylene carbonate 504.18
    cyrene 333.63
    2-ethoxyethyl acetate 942.0
    2-ethylhexyl acetate 1911.11
    1,2,4-trichlorobenzene 830.52
    4-methylpyridine 746.82
    dibutyl ether 1997.21
    2,6-dimethyl-4-heptanol 832.77
    DEF 975.06
    dimethyl isosorbide 1192.57
    tetrachloroethylene 1082.39
    eugenol 350.73
    triacetin 878.56
    span 80 405.94
    1,4-butanediol 13.88
    1,1-dichloroethane 1081.09
    2-methyl-1-pentanol 201.01
    methyl formate 51.2
    2-methyl-1-butanol 197.05
    n-decane 376.27
    butyronitrile 277.68
    3,7-dimethyl-1-octanol 447.89
    1-chlorooctane 802.83
    1-chlorotetradecane 294.94
    n-nonane 428.67
    undecane 218.19
    tert-butylcyclohexane 543.71
    cyclooctane 1051.18
    cyclopentanol 416.04
    tetrahydropyran 2169.94
    tert-amyl methyl ether 1014.08
    2,5,8-trioxanonane 796.66
    1-hexene 709.61
    2-isopropoxyethanol 186.86
    2,2,2-trifluoroethanol 28.23
    methyl butyrate 1135.59

    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
Cassie absolute (blossom) 8023-82-3 Acacia farnesiana (L.) Willd., fam. Mimosaceae (Leguminosae) 0.2%
Apple flower Malus arnoldiana (Rehd) Sarg. var. Redgold, fam. Rosaceae 0.04%
Daphne genkwa Daphne genkwa Sieb. et Zucc., fam. Thymelaeaceae 0.01%
Osmanthus concentrate 1 (Sukhumi-Abkhasia) 68917-05-5 Osmanthus fragrans (Thunb.) Lour., fam. Oleaceae 0.17%
Osmanthus concentrate 2 (Sukhumi-Abkhasia) 68917-05-5 Osmanthus fragrans (Thunb.) Lour., fam. Oleaceae 0.04%
Geranium (Bulgaria) 8000-46-2 Pelargonium graveolens l'Herit. ex Aiton, fam. Geraniaceae 0.1%
Rose headspace 1 8007-01-0 Rosa damascena Mill., cv. Othello, fam. Rosaceae 0.08%
Mustard, flowers 8007-40-7 Brassica juncea (L.) Czern. et Coss., fam. Brassicaceae (Crucifereae) 0.3%
Mustard, leaves & stems 8007-40-7 Brassica juncea (L.) Czern. et Coss., fam. Brassicaceae (Crucifereae) 0.4%
Mustard, root 8007-40-7 Brassica juncea (L.) Czern. et Coss., fam. Brassicaceae (Crucifereae) 0.2%
Genet absolute 2 8023-80-1 Spartium junceum L., fam. Leguminosae (Papilionaceae) 0.01%
Oenothera odorata flower concrete (China) Oenothera odorata Jacq., fam. Onagraceae 0.47%
Rosa centifolia (Poland) Rosa centifolia L., fam. Rosaceae 1.45%
Rhubarb root Rheum palmatum L., fam. Polygonaceae 0.01%
Vitex agnus-castus leaf (Italy) Vitex agnus-castus L., fam. Verbenaceae 0.2%
Vitex agnus-castus inflorescence (Italy) Vitex agnus-castus L., fam. Verbenaceae 0.3%
Boronia megastigma 91771-36-7 Boronia megastigma Nees., fam. Rutaceae 0.01%
Rosa odorata (China) Rosa odorata Sweet, fam. Rosaceae 0.84%
Acacia confusa flower (China) Acacia confusa Merr., fam. Mimosaceae (Leguminosae) 0.44%
Narcissus tazetta (var. chinensis) 8023-75-4 Narcissus tazetta L., var. chinensis, fam. Amaryllidaceae 0.12%
Rose (Turkey) 4 8007-01-7 Rosa damascena Mill., fam. Rosaceae 1.0%
Rosa rugosa (China) 1 Rosa rugosa Thunb. (hybrids), fam. Rosaceae 0.2%
Rose (India) 1 8007-01-7 Rosa damascena Mill., fam. Rosaceae 1.35%
Rose (Turkey) 5 8007-01-0 Rosa damascena Mill., fam. Rosaceae 1.5%
Rose (China) 2 8007-01-7 Rosa damascena Mill., fam. Rosaceae 0.05%
Rose absolute 8007-01-7 Rosa centifolia L., fam. Rosaceae 0.2%
Keora (India) 2 Pandanus odoratissimus L. (P. fascicularis Lam.), fam. Pandanaceae 0.02%
Solanum stuckertii flower Solanum stuckertii Bitter, fam. Solanaceae 1.45%
Solanum incisum flower Solanum incisum Griseb., fam. Solanaceae 0.87%
Rose (Bulgaria) 4a 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.6%
Rose (Bulgaria) 4b 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.5%
Rose (Bulgaria) 4c 8007-01-0 Rosa damascena Mill., fam. Rosaceae 1.5%
Basil (Australia) 2a cultivar Reunion 8015-73-4 Ocimum basilicum L. cultivar Reunion, fam. Lamiaceae (Labiatae) 0.01%
Basil (Australia) 2b cultivar Cinnamon 8015-73-4 Ocimum basilicum L. cultivar Cinnamon, fam. Lamiaceae (Labiatae) 0.1%
Basil (Australia) 2c cultivar Anise 8015-73-4 Ocimum basilicum L. cultivar Anise, fam. Lamiaceae (Labiatae) 0.4%
Basil (Australia) 2d cultivar Dark opal 8015-73-4 Ocimum basilicum L. cultivar Dark opal, fam. Lamiaceae (Labiatae) 0.3%
Basil (Australia) 2e cultivar Bush 8015-73-4 Ocimum basilicum L. cultivar Bush, fam. Lamiaceae (Labiatae) 0.6%
Premna serratifolia flower bud Premna serratifolia L. (P.obtusifolia Br.R., P.taitensis Sch.),Verbenaceae 0.1%
Kewda (India) Pandanus fascicularis Lam., var. fascilarris, fam. Pandanaceae 0.03%
Ketaki (India) Pandanus fascicularis Lam., var. Ketaki, fam. Pandanaceae 0.01%
Mullilam leaf (India) Zanthoxylum rhetsa D.C. syn. Z. limonella (Dennst.) Alston, fam. Rutaceae 1.6%
Alpinia laosensis (Vietnam) Alpinia laosensis Gagnep., fam. Zingiberaceae 0.01%
Rosemary (Morocco) 2 8000-25-7 Rosmarinus officinalis L., fam. Lamiaceae (Labiatae) 0.05%
Acacia caven flower Acacia caven (Mol.) Mol., fam. Mimosaceae (Leguminosae) 1.4%
Eucalyptus camaldulensis (Israel) Eucalyptus camaldulensis Dehn., fam. Myrtaceae 0.5%
Carrot umbel (Poland) 8015-88-1 Daucus carota L. ssp. carota, fam. Apiaceae (Umbelliferae) 0.01%
Salvia desoleana (Italy) 1a CO2-extract Salvia desoleana, fam. Lamiaceae (Labiatae) 0.3%
Salvia desoleana (Italy) 1b hydrodistilled Salvia desoleana, fam. Lamiaceae (Labiatae) 0.05%
Rocket leaf 1 Eruca sativa L., fam. Brassicaceae 0.1%
Phlomis fruticosa (Yugoslavia) Phlomis fruticosa L., fam. Lamiaceae (Labiatae) 0.4%