Pentadecane

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  • Identifiers

    CAS number
    629-62-9

    Molecular formula
    C15H32

    SMILES
    CCCCCCCCCCCCCCC

    Safety labels

    Health Hazard
    Health

    Retention indicies (RI)

    • DB5: 1500.0
    • Carbowax: 1500.0

  • Odor profile

    Waxy 75.94%
    Sweet 31.07%
    Oily 28.27%
    Gassy 27.35%
    Fatty 26.48%
    Odorless 18.53%
    Fishy 17.46%
    Clean 15.58%
    Meaty 15.12%
    Burnt 13.22%

    Scent© AI

  • Properties

    XLogP3-AA
    7.7

    pKa est.
    8.89 (weak base)

    Molecular weight
    212.41 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Melting point expt.

    • 50 °F (NTP, 1992)
    • 9.95 °C

    Boiling point

    • 519.13 °F at 760 mmHg (NTP, 1992)
    • 270.6 °C

    Flash point est.
    119.51 ˚C

    Solubility expt.

    • In water, 4.0X10-5 mg/L at 25 °C
    • Very soluble in ethyl ether, ethanol

  • Synonyms

    • Pentadecane
    • N-PENTADECANE
    • 629-62-9
    • Pentadekan
    • Pentadecane, n-
    • HSDB 5729
    • EINECS 211-098-1
    • MFCD00008990
    • NSC 172781
    • UNII-16H6K2S8M2
    • BRN 1698194
    • DTXSID6027268
    • CHEBI:28897
    • 16H6K2S8M2
    • NSC-172781
    • DTXCID107268
    • EC 211-098-1
    • CH3-[CH2]13-CH3
    • 4-01-00-00529 (Beilstein Handbook Reference)
    • n-Pentadecane 100 microg/mL in Acetonitrile
    • Pentadecane, analytical standard
    • CH3-(CH2)13-CH3
    • Pentadecane; NSC 172781; n-Pentadecane
    • pentadecan
    • Medicinal Plant
    • PENTADECANE (N)
    • Pentadecane, >=99%
    • ghl.PD_Mitscher_leg0.43
    • N-PENTADECANE [HSDB]
    • CH3(CH2)13CH3
    • CHEMBL1234557
    • UNII: 16H6K2S8M2
    • Pentadecane_Ramanathan &Gurudeeban
    • Pentadecane, >=98.0% (GC)
    • HY-N7926
    • Tox21_300535
    • LMFA11000006
    • NSC172781
    • STL280516
    • AKOS015902386
    • NCGC00164185-01
    • NCGC00164185-02
    • NCGC00254392-01
    • CAS-629-62-9
    • LS-14458
    • CS-0138815
    • NS00003105
    • P0606
    • C08388
    • D97801
    • Q150831
    • 896D4B7E-BF33-4D54-82CE-7360D88E8DC8
    • 211-098-1

  • Applications

    Pentadecane (n-pentadecane, CAS 629-62-9) is a high-boiling, nonpolar linear alkane used as an inert solvent and reaction medium at moderate to high temperatures, as a component/carrier in heat-transfer fluids and as a phase-change material (PCM) around 10 °C for thermal energy storage and cold-chain applications, as a GC/GC-MS retention index and calibration standard in petrochemical, polymer, and environmental analysis, as a reference or internal standard for method validation, as a model compound in combustion, oxidation kinetics, and surrogate diesel/mineral fuel studies, as a diluent/carrier for hydrophobic additives and lubricants, and as a hydrophobic liquid for wetting, surface, and materials testing.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 183.2
    methanol 64.36
    isopropanol 345.01
    water 0.0
    ethyl acetate 2218.61
    n-propanol 361.87
    acetone 1187.49
    n-butanol 615.85
    acetonitrile 286.29
    DMF 680.64
    toluene 1886.67
    isobutanol 444.25
    1,4-dioxane 2540.53
    methyl acetate 918.2
    THF 6409.5
    2-butanone 1648.53
    n-pentanol 461.69
    sec-butanol 606.54
    n-hexane 3402.29
    ethylene glycol 7.89
    NMP 1531.76
    cyclohexane 8181.42
    DMSO 881.66
    n-butyl acetate 5714.83
    n-octanol 700.23
    chloroform 3380.86
    n-propyl acetate 2169.31
    acetic acid 169.74
    dichloromethane 3281.94
    cyclohexanone 4574.23
    propylene glycol 32.34
    isopropyl acetate 2302.61
    DMAc 972.47
    2-ethoxyethanol 396.79
    isopentanol 945.77
    n-heptane 8026.75
    ethyl formate 496.14
    1,2-dichloroethane 3045.76
    n-hexanol 1273.64
    2-methoxyethanol 384.1
    isobutyl acetate 1831.0
    tetrachloromethane 1382.53
    n-pentyl acetate 2498.35
    transcutol 2733.93
    n-heptanol 710.82
    ethylbenzene 1250.79
    MIBK 2132.58
    2-propoxyethanol 1061.52
    tert-butanol 1060.94
    MTBE 3301.7
    2-butoxyethanol 821.3
    propionic acid 294.61
    o-xylene 1335.9
    formic acid 7.97
    diethyl ether 3624.53
    m-xylene 1305.5
    p-xylene 1607.27
    chlorobenzene 1573.52
    dimethyl carbonate 280.47
    n-octane 1631.76
    formamide 20.22
    cyclopentanone 3585.25
    2-pentanone 2419.99
    anisole 1347.24
    cyclopentyl methyl ether 5081.56
    gamma-butyrolactone 2370.08
    1-methoxy-2-propanol 591.15
    pyridine 2187.9
    3-pentanone 2119.2
    furfural 1223.94
    n-dodecane 500.26
    diethylene glycol 204.34
    diisopropyl ether 2581.33
    tert-amyl alcohol 1189.3
    acetylacetone 1931.7
    n-hexadecane 630.1
    acetophenone 1178.64
    methyl propionate 1123.67
    isopentyl acetate 4968.19
    trichloroethylene 3710.21
    n-nonanol 767.08
    cyclohexanol 1730.04
    benzyl alcohol 441.22
    2-ethylhexanol 2361.4
    isooctanol 889.8
    dipropyl ether 10810.79
    1,2-dichlorobenzene 1626.83
    ethyl lactate 395.35
    propylene carbonate 1497.13
    n-methylformamide 146.39
    2-pentanol 903.21
    n-pentane 1999.18
    1-propoxy-2-propanol 2066.17
    1-methoxy-2-propyl acetate 2551.81
    2-(2-methoxypropoxy) propanol 814.66
    mesitylene 1220.71
    ε-caprolactone 2977.38
    p-cymene 1845.72
    epichlorohydrin 2788.42
    1,1,1-trichloroethane 4352.8
    2-aminoethanol 38.12
    morpholine-4-carbaldehyde 1215.33
    sulfolane 2930.28
    2,2,4-trimethylpentane 889.65
    2-methyltetrahydrofuran 5859.65
    n-hexyl acetate 2325.75
    isooctane 840.04
    2-(2-butoxyethoxy)ethanol 1046.35
    sec-butyl acetate 2198.53
    tert-butyl acetate 3278.13
    decalin 2019.83
    glycerin 42.91
    diglyme 2739.28
    acrylic acid 148.82
    isopropyl myristate 1470.64
    n-butyric acid 950.12
    acetyl acetate 1155.83
    di(2-ethylhexyl) phthalate 517.3
    ethyl propionate 2150.0
    nitromethane 380.05
    1,2-diethoxyethane 4749.23
    benzonitrile 826.51
    trioctyl phosphate 547.95
    1-bromopropane 4187.77
    gamma-valerolactone 2475.35
    n-decanol 566.81
    triethyl phosphate 1617.38
    4-methyl-2-pentanol 780.09
    propionitrile 653.51
    vinylene carbonate 821.3
    1,1,2-trichlorotrifluoroethane 1017.77
    DMS 918.62
    cumene 948.63
    2-octanol 748.5
    2-hexanone 2315.01
    octyl acetate 1289.09
    limonene 4136.18
    1,2-dimethoxyethane 2224.25
    ethyl orthosilicate 1915.82
    tributyl phosphate 817.34
    diacetone alcohol 1490.23
    N,N-dimethylaniline 1134.9
    acrylonitrile 411.13
    aniline 869.72
    1,3-propanediol 120.9
    bromobenzene 2394.36
    dibromomethane 3091.42
    1,1,2,2-tetrachloroethane 4040.47
    2-methyl-cyclohexyl acetate 2823.54
    tetrabutyl urea 1113.26
    diisobutyl methanol 2436.53
    2-phenylethanol 729.02
    styrene 1370.96
    dioctyl adipate 1441.07
    dimethyl sulfate 493.02
    ethyl butyrate 5572.99
    methyl lactate 220.1
    butyl lactate 890.48
    diethyl carbonate 2425.89
    propanediol butyl ether 374.83
    triethyl orthoformate 4108.9
    p-tert-butyltoluene 1892.74
    methyl 4-tert-butylbenzoate 1214.63
    morpholine 2602.47
    tert-butylamine 1312.32
    n-dodecanol 491.11
    dimethoxymethane 938.79
    ethylene carbonate 1014.41
    cyrene 579.65
    2-ethoxyethyl acetate 1734.66
    2-ethylhexyl acetate 4847.68
    1,2,4-trichlorobenzene 1660.89
    4-methylpyridine 2150.04
    dibutyl ether 5796.13
    2,6-dimethyl-4-heptanol 2436.53
    DEF 2201.41
    dimethyl isosorbide 2032.11
    tetrachloroethylene 2291.45
    eugenol 676.93
    triacetin 1398.59
    span 80 884.33
    1,4-butanediol 48.98
    1,1-dichloroethane 2838.13
    2-methyl-1-pentanol 709.84
    methyl formate 133.49
    2-methyl-1-butanol 755.91
    n-decane 1159.06
    butyronitrile 1148.1
    3,7-dimethyl-1-octanol 1258.27
    1-chlorooctane 2108.15
    1-chlorotetradecane 781.9
    n-nonane 1408.17
    undecane 703.31
    tert-butylcyclohexane 1590.53
    cyclooctane 3015.55
    cyclopentanol 1240.02
    tetrahydropyran 6759.74
    tert-amyl methyl ether 2870.9
    2,5,8-trioxanonane 1498.22
    1-hexene 3526.53
    2-isopropoxyethanol 514.55
    2,2,2-trifluoroethanol 52.16
    methyl butyrate 2645.55

    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
Balsamite/Costmary Chrysanthemum balsamita L., fam. Asteraceae (Compositae) 0.3%
Bergamot (China) 1 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 0.21%
Cassie absolute (blossom) 8023-82-3 Acacia farnesiana (L.) Willd., fam. Mimosaceae (Leguminosae) 0.13%
Indian dill Anethum sowa Roxb., fam. Apiaceae (Umbelliferae) 0.05%
Linden blossom flower Tilia cordata Mill. (Tilia glabra Vent.), fam. Tiliaceae 0.05%
Myrtle leaf (Morocco) 1 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.03%
Peppermint (Greece) 1 8006-90-4 Mentha piperita L., fam. Lamiaceae (Labiatae) 0.5%
Peppermint (Greece) 2 8006-90-4 Mentha piperita L., fam. Lamiaceae (Labiatae) 0.5%
Rose (Bulgaria) 1 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.11%
Rose (Turkey) 1 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.2%
Rose (Turkey) 2 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.4%
Rue (Malaysia) 1 8014-29-7 Ruta graveolens L., fam. Rutaceae 0.24%
Hedychium coronarium flower (Japan) Hedychium coronarium Koenig, fam. Zingiberaceae 0.12%
Daphne genkwa Daphne genkwa Sieb. et Zucc., fam. Thymelaeaceae 0.01%
Pear (Japan), Asian Pyrus serotina Rehder (Asian pear), cultivar Chojui, fam. Rosaceae 0.01%
Galangal root (Malaysia) 8023-91-4 Alpinia galanga (L.) Willd., fam. Zingiberaceae 1.9%
Kaempferia galanga rhizome (Malaysia) Kaempferia galanga L. (Alpinia sessilis Kon.), fam. Zingiberaceae 8.98%
Mustard, flowers 8007-40-7 Brassica juncea (L.) Czern. et Coss., fam. Brassicaceae (Crucifereae) 0.01%
Mustard, leaves & stems 8007-40-7 Brassica juncea (L.) Czern. et Coss., fam. Brassicaceae (Crucifereae) 0.1%
Mustard, root 8007-40-7 Brassica juncea (L.) Czern. et Coss., fam. Brassicaceae (Crucifereae) 0.1%
False acacia flower (Black locust flower) 2 Robinia pseudoacacia L. (False acacia) (Black locust), fam. Leguminosae 0.7%
Cedrus atlantica (Morocco) Cedrus atlantica Man., fam. Cupressaceae 0.01%
Valerian, Living Flowers Valeriana officinalis L., fam. Valerianaceae 2.06%
Valerian, Flower Valeriana officinalis L., fam. Valerianaceae 0.66%
Lemon (Japan) 4 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 0.01%
Osmanthus headspace (flowers) (China) 1 68917-05-5 Osmanthus fragrans (Thunb.) Lour., var. auranticus Makino, fam. Oleaceae 0.24%
Magnolia purpurella (China) 1 Magnolia purpurella Law et Zhou, fam. Magnoliaceae 1.33%
Magnolia purpurella (China) 2 Magnolia purpurella Law et Zhou, fam. Magnoliaceae 27.52%
Tuberose (China) flower headspace 8024-05-3 Polianthes tuberosa L., fam. Amaryllidaceae (Agavaceae) 0.8%
Genet absolute 2 8023-80-1 Spartium junceum L., fam. Leguminosae (Papilionaceae) 0.01%
Genet headspace 2 8023-80-1 Spartium junceum L., fam. Leguminosae (Papilionaceae) 0.03%
Michelia yunnanensis flower headspace (China) Michelia yunnanensis Franch. ex Finet et Gagnep., fam. Magnoliaceae 41.99%
Lawsonia inermis flower headspace (China) Lawsonia inermis L., fam. Lythraceae 1.16%
Chaenomeles speciosa (Flowering Quince) Chaenameles speciosa Nakai, fam. Rosaceae 0.41%
Kaempferia galanga rhizome (China) Kaempferia galanga L. (Alpinia sessilis Kon.), fam. Zingiberaceae 21.61%
Mimusops elengi flower headspace Mimusops elengi L., fam. Sapotaceae 0.31%
Pistacia vera fruit hull (Turkey) Pistacia vera L., fam. Anacardiaceae 0.11%
Lime (Persian) (Japan) Citrus latifolia Tanaka, fam. Rutaceae 0.02%
Rhubarb root Rheum palmatum L., fam. Polygonaceae 0.01%
Boronia megastigma 91771-36-7 Boronia megastigma Nees., fam. Rutaceae 0.1%
Keora (India) 3 Pandanus odoratissimus L. (P. fascicularis Lam.), fam. Pandanaceae 0.01%
Ambarella fruit Spondias cytherea Sonnerat (Ambarella), fam. Anacardiaceae 0.13%
Rosa odorata (China) Rosa odorata Sweet, fam. Rosaceae 0.2%
Bergamot leaf (China) 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 0.06%
Bergamot (China) 6 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 0.21%
Lemon flower headspace (clone SG) 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 1.2%
Lemon flower headspace (clone ZH) 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 1.3%
Narcissus tazetta (var. chinensis) headspace 8023-75-4 Narcissus tazetta L., var. chinensis, fam. Amarillidaceae 0.03%
Rose (Bulgaria) 3b 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.26%
Rose (Turkey) 4 8007-01-7 Rosa damascena Mill., fam. Rosaceae 0.35%