Octadecane

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  • Identifiers

    CAS number
    593-45-3

    Molecular formula
    C18H38

    SMILES
    CCCCCCCCCCCCCCCCCC

    Safety labels

    Health Hazard
    Health

    Retention indicies (RI)

    • DB5: 1800.0
    • Carbowax: 1800.0

  • Odor profile

    Waxy 81.93%
    Fatty 31.7%
    Oily 30.08%
    Sweet 22.4%
    Odorless 21.47%
    Gassy 19.92%
    Fishy 17.26%
    Meaty 15.33%
    Clean 14.01%
    Savory 12.89%

    Scent© AI

  • Properties

    XLogP3-AA
    9.3

    pKa est.
    8.84 (weak base)

    Molecular weight
    254.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 82.9 °F (NTP, 1992)
    • [CAMEO] 82 °F
    • 28.17 °C
    • 28 °C

    Boiling point

    • 601 °F at 760 mmHg (NTP, 1992)
    • Boiling point equals 601 °F
    • 316 °C
    • 316.00 to 317.00 °C. @ 760.00 mm Hg

    Flash point est.
    147.04 ˚C

    Flash point expt.

    • 212 °F (NTP, 1992)
    • Flash point equals 212 °F
    • 166 °C (331 °F) - closed cup

    Solubility expt.

    • In water, 6.00X10-3 mg/L at 25 °C
    • Insoluble in water
    • Slightly soluble in ethanol; soluble in ethyl ether, acetone, chloroform; ligroin
    • Soluble in alcohol, acetone, ether, petroleum, coal tar hydrocarbons
    • 6e-06 mg/mL at 25 °C

  • Synonyms

    • OCTADECANE
    • n-Octadecane
    • 593-45-3
    • Octadecan
    • Oktadekan
    • UNII-N102P6HAIU
    • N102P6HAIU
    • CCRIS 681
    • 1-(4-Chlorophenyl)-1,3-dihydro-2H-indol-2-one
    • TS Paraffin TS 8
    • NSC 4201
    • NSC-4201
    • EINECS 209-790-3
    • MFCD00009007
    • 128271-18-1
    • AI3-06523
    • DTXSID9047172
    • CHEBI:32926
    • HSDB 8348
    • EC 209-790-3
    • CACTUS NORMAL PARAFFIN TS 8
    • Octadecane, 99%
    • Octadecane, analytical standard
    • CH3-(CH2)16-CH3
    • CH3-[CH2]16-CH3
    • Octadecane, n-
    • DTXCID7027172
    • NSC4201
    • HY-N6600
    • LMFA11000581
    • AKOS015903064
    • Octadecane, purum, >=97.0% (GC)
    • AS-56224
    • DA-66163
    • CS-0034329
    • NS00010781
    • O0003
    • Q150900
    • 379E5588-B955-4C35-88E0-21E7DF38DE0E
    • 209-790-3
    • InChI=1/C18H38/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3-18H2,1-2H

  • Applications

    Octadecane (CAS 593-45-3) is used as a phase-change material (PCM) for thermal energy storage and temperature regulation near room temperature in wallboards, plasters/gypsum, bricks, paints, cold-chain packaging, microencapsulated thermoregulating textiles, and as a thermal buffer for electronics; as a component and property-tuning agent in paraffin-wax blends for candles, polishes, and moisture/rust-preventive coatings to adjust melting range and flow; as an n-alkane series standard for gas chromatography (retention index) and for DSC crystallization–melting studies; as a model substrate in catalytic research (hydroisomerization/hydrocracking) and in biodegradation of long-chain alkanes, as well as a model hydrocarbon in combustion, droplet evaporation, and heat-transfer experiments; it also serves as an inert nonpolar medium/heat-transfer fluid at moderate-to-high temperatures in certain laboratory processes.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 61.33
    methanol 23.23
    isopropanol 127.98
    water 0.0
    ethyl acetate 1221.53
    n-propanol 136.41
    acetone 556.14
    n-butanol 249.46
    acetonitrile 116.01
    DMF 394.02
    toluene 981.58
    isobutanol 191.15
    1,4-dioxane 1338.11
    methyl acetate 505.37
    THF 3676.74
    2-butanone 846.74
    n-pentanol 192.3
    sec-butanol 252.36
    n-hexane 1326.85
    ethylene glycol 3.19
    NMP 1121.4
    cyclohexane 4588.21
    DMSO 493.01
    n-butyl acetate 2998.03
    n-octanol 364.46
    chloroform 2077.51
    n-propyl acetate 1339.08
    acetic acid 85.57
    dichloromethane 1955.31
    cyclohexanone 2801.62
    propylene glycol 13.24
    isopropyl acetate 1446.82
    DMAc 696.45
    2-ethoxyethanol 199.28
    isopentanol 420.39
    n-heptane 3864.12
    ethyl formate 278.43
    1,2-dichloroethane 1770.87
    n-hexanol 497.59
    2-methoxyethanol 192.91
    isobutyl acetate 1158.83
    tetrachloromethane 907.32
    n-pentyl acetate 1691.42
    transcutol 1636.04
    n-heptanol 358.85
    ethylbenzene 697.14
    MIBK 1308.13
    2-propoxyethanol 508.58
    tert-butanol 454.91
    MTBE 1598.76
    2-butoxyethanol 456.37
    propionic acid 154.25
    o-xylene 817.08
    formic acid 4.8
    diethyl ether 1656.78
    m-xylene 754.7
    p-xylene 971.15
    chlorobenzene 920.18
    dimethyl carbonate 190.52
    n-octane 809.05
    formamide 12.11
    cyclopentanone 2281.2
    2-pentanone 1309.41
    anisole 857.29
    cyclopentyl methyl ether 3113.08
    gamma-butyrolactone 1608.06
    1-methoxy-2-propanol 309.0
    pyridine 1120.91
    3-pentanone 1226.46
    furfural 808.28
    n-dodecane 240.93
    diethylene glycol 97.02
    diisopropyl ether 1371.45
    tert-amyl alcohol 557.08
    acetylacetone 1231.1
    n-hexadecane 307.39
    acetophenone 836.6
    methyl propionate 661.12
    isopentyl acetate 2808.9
    trichloroethylene 2311.02
    n-nonanol 413.22
    cyclohexanol 873.85
    benzyl alcohol 248.89
    2-ethylhexanol 1107.18
    isooctanol 469.39
    dipropyl ether 5381.65
    1,2-dichlorobenzene 1060.77
    ethyl lactate 266.64
    propylene carbonate 1031.61
    n-methylformamide 78.31
    2-pentanol 399.95
    n-pentane 808.2
    1-propoxy-2-propanol 1047.31
    1-methoxy-2-propyl acetate 1661.46
    2-(2-methoxypropoxy) propanol 525.66
    mesitylene 755.13
    ε-caprolactone 1928.94
    p-cymene 1109.13
    epichlorohydrin 1749.87
    1,1,1-trichloroethane 2724.18
    2-aminoethanol 16.61
    morpholine-4-carbaldehyde 824.14
    sulfolane 2206.21
    2,2,4-trimethylpentane 462.71
    2-methyltetrahydrofuran 3255.18
    n-hexyl acetate 1496.18
    isooctane 415.84
    2-(2-butoxyethoxy)ethanol 645.64
    sec-butyl acetate 1404.84
    tert-butyl acetate 2195.83
    decalin 1092.49
    glycerin 21.25
    diglyme 1850.55
    acrylic acid 79.93
    isopropyl myristate 952.22
    n-butyric acid 521.03
    acetyl acetate 738.88
    di(2-ethylhexyl) phthalate 340.61
    ethyl propionate 1364.8
    nitromethane 218.72
    1,2-diethoxyethane 2633.76
    benzonitrile 461.75
    trioctyl phosphate 352.03
    1-bromopropane 2106.3
    gamma-valerolactone 1607.93
    n-decanol 299.66
    triethyl phosphate 1151.63
    4-methyl-2-pentanol 384.5
    propionitrile 277.09
    vinylene carbonate 561.22
    1,1,2-trichlorotrifluoroethane 658.74
    DMS 655.13
    cumene 568.32
    2-octanol 395.11
    2-hexanone 1226.28
    octyl acetate 832.34
    limonene 2419.49
    1,2-dimethoxyethane 1247.29
    ethyl orthosilicate 1329.02
    tributyl phosphate 514.88
    diacetone alcohol 964.82
    N,N-dimethylaniline 754.97
    acrylonitrile 180.43
    aniline 461.72
    1,3-propanediol 56.19
    bromobenzene 1399.35
    dibromomethane 1744.94
    1,1,2,2-tetrachloroethane 2603.63
    2-methyl-cyclohexyl acetate 1863.2
    tetrabutyl urea 736.58
    diisobutyl methanol 1298.49
    2-phenylethanol 390.66
    styrene 735.9
    dioctyl adipate 1010.02
    dimethyl sulfate 369.5
    ethyl butyrate 3308.3
    methyl lactate 142.24
    butyl lactate 614.42
    diethyl carbonate 1526.5
    propanediol butyl ether 214.95
    triethyl orthoformate 2673.64
    p-tert-butyltoluene 1129.6
    methyl 4-tert-butylbenzoate 928.61
    morpholine 1358.01
    tert-butylamine 561.67
    n-dodecanol 256.13
    dimethoxymethane 557.6
    ethylene carbonate 685.97
    cyrene 422.56
    2-ethoxyethyl acetate 1204.76
    2-ethylhexyl acetate 2765.28
    1,2,4-trichlorobenzene 1117.84
    4-methylpyridine 1174.15
    dibutyl ether 3053.27
    2,6-dimethyl-4-heptanol 1298.49
    DEF 1401.19
    dimethyl isosorbide 1497.77
    tetrachloroethylene 1505.78
    eugenol 467.14
    triacetin 1076.41
    span 80 556.68
    1,4-butanediol 23.05
    1,1-dichloroethane 1625.86
    2-methyl-1-pentanol 333.26
    methyl formate 76.19
    2-methyl-1-butanol 333.53
    n-decane 592.32
    butyronitrile 494.81
    3,7-dimethyl-1-octanol 669.07
    1-chlorooctane 1179.96
    1-chlorotetradecane 440.48
    n-nonane 690.88
    undecane 351.84
    tert-butylcyclohexane 851.06
    cyclooctane 1669.21
    cyclopentanol 651.6
    tetrahydropyran 3492.76
    tert-amyl methyl ether 1549.83
    2,5,8-trioxanonane 1042.61
    1-hexene 1320.87
    2-isopropoxyethanol 277.1
    2,2,2-trifluoroethanol 36.48
    methyl butyrate 1629.27

    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) 0.08%
Indian dill Anethum sowa Roxb., fam. Apiaceae (Umbelliferae) 0.05%
Daphne genkwa Daphne genkwa Sieb. et Zucc., fam. Thymelaeaceae 0.01%
Coriander fruit (Finland) 2 8008-52-4 Coriandrum sativum L., fam. Apiaceae (Umbelliferae) 0.01%
Coriander fruit (Finland) 1 8008-52-4 Coriandrum sativum L., fam. Apiaceae (Umbelliferae) 0.01%
Rosemary (Italy) 3 8000-25-7 Rosmarinus officinalis L., fam. Lamiaceae (Labiatae) 0.01%
Geranium (Bulgaria) 8000-46-2 Pelargonium graveolens l'Herit. ex Aiton, fam. Geraniaceae 0.1%
Mustard, flowers 8007-40-7 Brassica juncea (L.) Czern. et Coss., fam. Brassicaceae (Crucifereae) 0.2%
Mustard, leaves & stems 8007-40-7 Brassica juncea (L.) Czern. et Coss., fam. Brassicaceae (Crucifereae) 0.01%
Tamarind 2 Tamarindus indica L., fam. Leguminosae 0.15%
Genet absolute 2 8023-80-1 Spartium junceum L., fam. Leguminosae (Papilionaceae) 0.01%
Rosa centifolia (Poland) Rosa centifolia L., fam. Rosaceae 0.14%
Micromeria carminea (Turkey) Micromeria carminea P.H. Davis (syn.M.cristata), fam. Lamiaceae (Labiatae) 0.04%
Rhubarb root Rheum palmatum L., fam. Polygonaceae 0.4%
Minthostachys spicata Minthostachys spicata (Benth.) Epl., fam Lamiaceae (Labiatae) 0.1%
Thymus pulegioides (Italy) Thymus pulegioides L., fam. Lamiaceae (Labiatae) 0.05%
Nepeta crassifolia Nepeta crassifolia Boiss. & Buhse, fam. Lamiaceae (Labiatae) 0.05%
Boronia megastigma 91771-36-7 Boronia megastigma Nees., fam. Rutaceae 0.03%
Rosa odorata (China) Rosa odorata Sweet, fam. Rosaceae 0.1%
Acacia confusa flower (China) Acacia confusa Merr., fam. Mimosaceae (Leguminosae) 0.12%
Lavender (Lithuania) 8000-28-0 Lavandula angustifolia Mill., fam. Lamiaceae (Labiatae) 0.01%
Rose (Turkey) 4 8007-01-7 Rosa damascena Mill., fam. Rosaceae 0.07%
Rosa rugosa (China) 1 Rosa rugosa Thunb. (hybrids), fam. Rosaceae 0.35%
Rose (India) 1 8007-01-7 Rosa damascena Mill., fam. Rosaceae 0.53%
Rose (Turkey) 5 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.3%
Keora (India) 2 Pandanus odoratissimus L. (P. fascicularis Lam.), fam. Pandanaceae 0.01%
Cabore (Brazil) Micrastur ruficolis, fam. Leguminosae (so-called: officially unknown) 0.2%
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) 0.15%
Basil (Australia) 2c cultivar Anise 8015-73-4 Ocimum basilicum L. cultivar Anise, fam. Lamiaceae (Labiatae) 0.7%
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) 0.9%
Helichrysum stoechas (France) 8023-85-8 Helichrysum stoechas L., fam. Asteraceae (Compositae) 0.01%
Premna serratifolia flower bud Premna serratifolia L. (P.obtusifolia Br.R., P.taitensis Sch.),Verbenaceae 0.05%
Ketaki (India) Pandanus fascicularis Lam., var. Ketaki, fam. Pandanaceae 0.4%
Mullilam leaf (India) Zanthoxylum rhetsa D.C. syn. Z. limonella (Dennst.) Alston, fam. Rutaceae 2.9%
Alpinia laosensis (Vietnam) Alpinia laosensis Gagnep., fam. Zingiberaceae 0.1%
Genipap fruit (Brazil) Genipa americana L., fam. Rubiaceae 0.3%
Rosemary (Morocco) 2 8000-25-7 Rosmarinus officinalis L., fam. Lamiaceae (Labiatae) 0.1%
Eucalyptus globulus (China) 4 residue 8016-26-0 Eucalyptus globulus Labill., fam. Myrtaceae 0.01%
Lantana camara (India) 1a leaf 90046-17-6 Lantana camara L., fam. Verbenaceae 0.1%
Lantana camara (India) 1b flower 90046-17-6 Lantana camara L., fam. Verbenaceae 0.3%
Acacia caven flower Acacia caven (Mol.) Mol., fam. Mimosaceae (Leguminosae) 0.3%
Eucalyptus camaldulensis (Israel) Eucalyptus camaldulensis Dehn., fam. Myrtaceae 0.1%
Carrot umbel (Poland) 8015-88-1 Daucus carota L. ssp. carota, fam. Apiaceae (Umbelliferae) 0.01%
Eupatorium cannabinum Eupatorium cannabinum L. ssp. cannabinum, fam. Astercaceae (Compositae) 0.05%
Catharanthus roseus leaf Catharanthus roseus (L.) G. Don, fam. Apocynaceae 0.3%
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%
Yarrow (India) 84082-83-7 Achillea millefolium L., fam. Asteraceae (Compositae) 0.2%